3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide

C14H13BrClNO2S — CID 7514376

IUPAC3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c15-12-2-1-3-14(10-12)20(18,19)17-9-8-11-4-6-13(16)7-5-11/h1-7,10,17H,8-9H2
InChIKeyLGSQKTUOHFEBAB-UHFFFAOYSA-N
MW374.69 g/mol
LogP3.62
Rot. Bonds5

About 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide

3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 7514376) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID7514376
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC Name3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c15-12-2-1-3-14(10-12)20(18,19)17-9-8-11-4-6-13(16)7-5-11/h1-7,10,17H,8-9H2
InChIKeyLGSQKTUOHFEBAB-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
3-bromo-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzenesulfonamide
CID 55464111
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
3-chloro-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide
CID 110294516
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
3-bromo-N-(3-chlorobutyl)benzenesulfonamide
CID 65033049

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide (CID 7514376) is 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is LGSQKTUOHFEBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c15-12-2-1-3-14(10-12)20(18,19)17-9-8-11-4-6-13(16)7-5-11/h1-7,10,17H,8-9H2.
What are the key properties of 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide?
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7514376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).