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

C14H15BrN2O4S2 — CID 2551997

IUPAC3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H15BrN2O4S2/c15-12-2-1-3-14(10-12)23(20,21)17-9-8-11-4-6-13(7-5-11)22(16,18)19/h1-7,10,17H,8-9H2,(H2,16,18,19)
InChIKeyOAKVMCWNLKSGDI-UHFFFAOYSA-N
MW419.32 g/mol
LogP1.62
Rot. Bonds6

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

3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 2551997) has the molecular formula C14H15BrN2O4S2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID2551997
Molecular FormulaC14H15BrN2O4S2
Molecular Weight419.32 g/mol
Exact Mass417.97
IUPAC Name3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H15BrN2O4S2/c15-12-2-1-3-14(10-12)23(20,21)17-9-8-11-4-6-13(7-5-11)22(16,18)19/h1-7,10,17H,8-9H2,(H2,16,18,19)
InChIKeyOAKVMCWNLKSGDI-UHFFFAOYSA-N
XLogP1.62
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2952489
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 4830347
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
N-[2-(4-sulfamoylphenyl)ethyl]naphthalene-1-sulfonamide
CID 5194103
5-(benzenesulfonyl)-2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 57430146
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
3-bromo-N-hexylbenzenesulfonamide
CID 31481292

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 2551997) is 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is OAKVMCWNLKSGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4S2/c15-12-2-1-3-14(10-12)23(20,21)17-9-8-11-4-6-13(7-5-11)22(16,18)19/h1-7,10,17H,8-9H2,(H2,16,18,19).
What are the key properties of 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 419.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2551997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).