4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide

C14H13BrClNO3S — CID 86013530

IUPAC4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCO)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrClNO3S/c15-11-2-5-13(6-3-11)21(19,20)17-12-4-1-10(7-8-18)14(16)9-12/h1-6,9,17-18H,7-8H2
InChIKeyHBKDZDIZTYCFMT-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.44
Rot. Bonds5

About 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide

4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 86013530) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID86013530
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCO)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrClNO3S/c15-11-2-5-13(6-3-11)21(19,20)17-12-4-1-10(7-8-18)14(16)9-12/h1-6,9,17-18H,7-8H2
InChIKeyHBKDZDIZTYCFMT-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 59571909
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
CID 9234830
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide (CID 86013530) is 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCO)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is HBKDZDIZTYCFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c15-11-2-5-13(6-3-11)21(19,20)17-12-4-1-10(7-8-18)14(16)9-12/h1-6,9,17-18H,7-8H2.
What are the key properties of 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 86013530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).