4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide

C97H93Br4N5O17S9 — CID 159032204

IUPAC4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide
SMILESCC(=O)CCc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O.CC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
InChIInChI=1S/C21H22BrNO3S.C20H20BrNO3S2.C19H16BrNO4S2.C19H18BrNO3S2.C18H17NO4S2/c1-2-3-4-7-15-14-20(18-8-5-6-9-19(18)21(15)24)23-27(25,26)17-12-10-16(22)11-13-17;1-2-3-12-26-19-13-18(16-6-4-5-7-17(16)20(19)23)22-27(24,25)15-10-8-14(21)9-11-15;1-12(22)11-26-18-10-17(15-4-2-3-5-16(15)19(18)23)21-27(24,25)14-8-6-13(20)7-9-14;1-2-11-25-18-12-17(15-5-3-4-6-16(15)19(18)22)21-26(23,24)14-9-7-13(20)8-10-14;1-12(20)8-9-13-11-16(14-5-2-3-6-15(14)18(13)21)19-25(22,23)17-7-4-10-24-17/h5-6,8-14,23-24H,2-4,7H2,1H3;4-11,13,22-23H,2-3,12H2,1H3;2-10,21,23H,11H2,1H3;3-10,12,21-22H,2,11H2,1H3;2-7,10-11,19,21H,8-9H2,1H3
InChIKeyJVAGCQIDMCOBQW-UHFFFAOYSA-N
MW2209.05 g/mol
LogP26.17
Rot. Bonds32

About 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide

4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide (PubChem CID 159032204) has the molecular formula C97H93Br4N5O17S9 and a molecular weight of 2209.05 g/mol. Its IUPAC name is 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide
PubChem CID159032204
Molecular FormulaC97H93Br4N5O17S9
Molecular Weight2209.05 g/mol
Exact Mass2203.08
IUPAC Name4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide
SMILESCC(=O)CCc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O.CC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
InChIInChI=1S/C21H22BrNO3S.C20H20BrNO3S2.C19H16BrNO4S2.C19H18BrNO3S2.C18H17NO4S2/c1-2-3-4-7-15-14-20(18-8-5-6-9-19(18)21(15)24)23-27(25,26)17-12-10-16(22)11-13-17;1-2-3-12-26-19-13-18(16-6-4-5-7-17(16)20(19)23)22-27(24,25)15-10-8-14(21)9-11-15;1-12(22)11-26-18-10-17(15-4-2-3-5-16(15)19(18)23)21-27(24,25)14-8-6-13(20)7-9-14;1-2-11-25-18-12-17(15-5-3-4-6-16(15)19(18)22)21-26(23,24)14-9-7-13(20)8-10-14;1-12(20)8-9-13-11-16(14-5-2-3-6-15(14)18(13)21)19-25(22,23)17-7-4-10-24-17/h5-6,8-14,23-24H,2-4,7H2,1H3;4-11,13,22-23H,2-3,12H2,1H3;2-10,21,23H,11H2,1H3;3-10,12,21-22H,2,11H2,1H3;2-7,10-11,19,21H,8-9H2,1H3
InChIKeyJVAGCQIDMCOBQW-UHFFFAOYSA-N
XLogP26.17
TPSA366.14 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002209.05
LogP ≤ 526.17
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
CID 46908186
4-bromo-N-[4-hydroxy-3-(2-hydroxyethylsulfanyl)naphthalen-1-yl]benzenesulfonamide
CID 71548701
3-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]propanoic acid
CID 166635591
N-cyclopropyl-3-[1-hydroxy-4-(thiophen-2-ylsulfonylamino)naphthalen-2-yl]sulfanylpropanamide
CID 44609144
2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 1184112
3-[1-hydroxy-4-(thiophen-2-ylsulfonylamino)naphthalen-2-yl]sulfanylbutanamide
CID 91363626
N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide
CID 90313060
2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
CID 1309516
4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol
CID 157055716
N-[4-hydroxy-3-(2-hydroxyprop-2-enylsulfanyl)naphthalen-1-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 122674263
N-[4-hydroxy-3-(2-methyltetrazol-2-ium-1-yl)sulfanylnaphthalen-1-yl]thiophene-2-sulfonamide
CID 137126428
N-(3-benzylsulfanyl-4-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 1297152

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide (CID 159032204) is 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide is CC(=O)CCc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O.CC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.CCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O.
What is the InChIKey of 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide?
The InChIKey is JVAGCQIDMCOBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrNO3S.C20H20BrNO3S2.C19H16BrNO4S2.C19H18BrNO3S2.C18H17NO4S2/c1-2-3-4-7-15-14-20(18-8-5-6-9-19(18)21(15)24)23-27(25,26)17-12-10-16(22)11-13-17;1-2-3-12-26-19-13-18(16-6-4-5-7-17(16)20(19)23)22-27(24,25)15-10-8-14(21)9-11-15;1-12(22)11-26-18-10-17(15-4-2-3-5-16(15)19(18)23)21-27(24,25)14-8-6-13(20)7-9-14;1-2-11-25-18-12-17(15-5-3-4-6-16(15)19(18)22)21-26(23,24)14-9-7-13(20)8-10-14;1-12(20)8-9-13-11-16(14-5-2-3-6-15(14)18(13)21)19-25(22,23)17-7-4-10-24-17/h5-6,8-14,23-24H,2-4,7H2,1H3;4-11,13,22-23H,2-3,12H2,1H3;2-10,21,23H,11H2,1H3;3-10,12,21-22H,2,11H2,1H3;2-7,10-11,19,21H,8-9H2,1H3.
What are the key properties of 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide?
4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide has a molecular weight of 2209.05 g/mol, XLogP of 26.17, 32 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 159032204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).