5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane

C35H34BBr5Cl4N2O8S4 — CID 158132986

IUPAC5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane
SMILESBrB(Br)Br.COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1S(=O)(=O)NC1(CSC)CC1.CSCC1(NS(=O)(=O)c2cc(Oc3c(Cl)cc(Br)cc3Cl)ccc2O)CC1
InChIInChI=1S/C18H18BrCl2NO4S2.C17H16BrCl2NO4S2.BBr3/c1-25-15-4-3-12(26-17-13(20)7-11(19)8-14(17)21)9-16(15)28(23,24)22-18(5-6-18)10-27-2;1-26-9-17(4-5-17)21-27(23,24)15-8-11(2-3-14(15)22)25-16-12(19)6-10(18)7-13(16)20;2-1(3)4/h3-4,7-9,22H,5-6,10H2,1-2H3;2-3,6-8,21-22H,4-5,9H2,1H3;
InChIKeyFSZVWTSWBTWLEC-UHFFFAOYSA-N
MW1291.07 g/mol
LogP13.31
Rot. Bonds15

About 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane

5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane (PubChem CID 158132986) has the molecular formula C35H34BBr5Cl4N2O8S4 and a molecular weight of 1291.07 g/mol. Its IUPAC name is 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane.

Molecular Properties

Compound Name5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane
PubChem CID158132986
Molecular FormulaC35H34BBr5Cl4N2O8S4
Molecular Weight1291.07 g/mol
Exact Mass1283.60
IUPAC Name5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane
SMILESBrB(Br)Br.COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1S(=O)(=O)NC1(CSC)CC1.CSCC1(NS(=O)(=O)c2cc(Oc3c(Cl)cc(Br)cc3Cl)ccc2O)CC1
InChIInChI=1S/C18H18BrCl2NO4S2.C17H16BrCl2NO4S2.BBr3/c1-25-15-4-3-12(26-17-13(20)7-11(19)8-14(17)21)9-16(15)28(23,24)22-18(5-6-18)10-27-2;1-26-9-17(4-5-17)21-27(23,24)15-8-11(2-3-14(15)22)25-16-12(19)6-10(18)7-13(16)20;2-1(3)4/h3-4,7-9,22H,5-6,10H2,1-2H3;2-3,6-8,21-22H,4-5,9H2,1H3;
InChIKeyFSZVWTSWBTWLEC-UHFFFAOYSA-N
XLogP13.31
TPSA140.26 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001291.07
LogP ≤ 513.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane 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

5-(4-bromo-2,6-dichlorophenoxy)-2-[(4-methoxyphenyl)methoxy]-N-[1-(methylsulfonylmethyl)cyclopropyl]benzenesulfonamide
CID 157490354
5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-(6-methylspiro[3.3]heptan-2-yl)benzenesulfonamide
CID 161337015
5-bromo-1,3-dichloro-2-(4-methoxy-3-methylsulfonylphenoxy)benzene;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxybenzenesulfonyl chloride
CID 162198444
N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
CID 115902986
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
2-[3,5-dichloro-4-[3-(cyclobutylsulfamoyl)-4-hydroxyphenoxy]anilino]-2-oxoacetic acid
CID 18614233
2-[3,5-dichloro-4-(4-hydroxy-3-methylsulfonylphenoxy)phenyl]-6-(difluoromethyl)-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-(4-methoxy-3-methylsulfonylphenoxy)phenyl]-6-(difluoromethyl)-1,2,4-triazine-3,5-dione;tribromoborane
CID 158747062
5-(4-bromo-2,6-dichlorophenoxy)-2-methoxybenzenesulfinate
CID 162457630
5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide
CID 162457633
methyl 3-[4-[3-(butylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichloroanilino]-3-oxopropanoate
CID 142657581

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane?
The IUPAC name of 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane (CID 158132986) is 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane.
What is the SMILES notation for 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane?
The canonical SMILES for 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane is BrB(Br)Br.COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1S(=O)(=O)NC1(CSC)CC1.CSCC1(NS(=O)(=O)c2cc(Oc3c(Cl)cc(Br)cc3Cl)ccc2O)CC1.
What is the InChIKey of 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane?
The InChIKey is FSZVWTSWBTWLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrCl2NO4S2.C17H16BrCl2NO4S2.BBr3/c1-25-15-4-3-12(26-17-13(20)7-11(19)8-14(17)21)9-16(15)28(23,24)22-18(5-6-18)10-27-2;1-26-9-17(4-5-17)21-27(23,24)15-8-11(2-3-14(15)22)25-16-12(19)6-10(18)7-13(16)20;2-1(3)4/h3-4,7-9,22H,5-6,10H2,1-2H3;2-3,6-8,21-22H,4-5,9H2,1H3;.
What are the key properties of 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane?
5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane has a molecular weight of 1291.07 g/mol, XLogP of 13.31, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,6-dichlorophenoxy)-2-hydroxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxy-N-[1-(methylsulfanylmethyl)cyclopropyl]benzenesulfonamide;tribromoborane is sourced from PubChem (CID 158132986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).