N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide

C16H15NO3S3 — CID 46908186

IUPACN-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
SMILESCCSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
InChIInChI=1S/C16H15NO3S3/c1-2-21-14-10-13(11-6-3-4-7-12(11)16(14)18)17-23(19,20)15-8-5-9-22-15/h3-10,17-18H,2H2,1H3
InChIKeyFBDCTYOJYCGNDI-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.52
Rot. Bonds5

About N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide

N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 46908186) has the molecular formula C16H15NO3S3 and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID46908186
Molecular FormulaC16H15NO3S3
Molecular Weight365.50 g/mol
Exact Mass365.02
IUPAC NameN-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
SMILESCCSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
InChIInChI=1S/C16H15NO3S3/c1-2-21-14-10-13(11-6-3-4-7-12(11)16(14)18)17-23(19,20)15-8-5-9-22-15/h3-10,17-18H,2H2,1H3
InChIKeyFBDCTYOJYCGNDI-UHFFFAOYSA-N
XLogP4.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[1-hydroxy-4-(thiophen-2-ylsulfonylamino)naphthalen-2-yl]sulfanylpropanamide
CID 44609144
3-[1-hydroxy-4-(thiophen-2-ylsulfonylamino)naphthalen-2-yl]sulfanylbutanamide
CID 91363626
N-[4-hydroxy-3-(2-methyltetrazol-2-ium-1-yl)sulfanylnaphthalen-1-yl]thiophene-2-sulfonamide
CID 137126428
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
2-[4-[(5-butan-2-yl-4-chlorothiophen-2-yl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
CID 143924227
N-[4-hydroxy-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]naphthalen-1-yl]thiophene-2-sulfonamide
CID 90231674
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 1184112
N-(3-benzylsulfanyl-4-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 1297152
N-[2-(ethylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606461
4-bromo-N-[4-hydroxy-3-(2-hydroxyethylsulfanyl)naphthalen-1-yl]benzenesulfonamide
CID 71548701
N-[4-hydroxy-3-(2-hydroxyprop-2-enylsulfanyl)naphthalen-1-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 122674263

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide (CID 46908186) is N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide is CCSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O.
What is the InChIKey of N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is FBDCTYOJYCGNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S3/c1-2-21-14-10-13(11-6-3-4-7-12(11)16(14)18)17-23(19,20)15-8-5-9-22-15/h3-10,17-18H,2H2,1H3.
What are the key properties of N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide?
N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 365.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 46908186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).