4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide

C16H17BrClNO2S — CID 7939182

IUPAC4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
SMILESCC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H17BrClNO2S/c1-16(2,3)12-6-4-5-7-14(12)19-22(20,21)15-9-8-11(17)10-13(15)18/h4-10,19H,1-3H3
InChIKeyIGFYATFIAPZAEI-UHFFFAOYSA-N
MW402.74 g/mol
LogP5.20
Rot. Bonds3

About 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide

4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide (PubChem CID 7939182) has the molecular formula C16H17BrClNO2S and a molecular weight of 402.74 g/mol. Its IUPAC name is 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
PubChem CID7939182
Molecular FormulaC16H17BrClNO2S
Molecular Weight402.74 g/mol
Exact Mass400.99
IUPAC Name4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
SMILESCC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H17BrClNO2S/c1-16(2,3)12-6-4-5-7-14(12)19-22(20,21)15-9-8-11(17)10-13(15)18/h4-10,19H,1-3H3
InChIKeyIGFYATFIAPZAEI-UHFFFAOYSA-N
XLogP5.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.74
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2-tert-butylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3861912
4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
CID 65031150
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 61036715

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide (CID 7939182) is 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide is CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide?
The InChIKey is IGFYATFIAPZAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2S/c1-16(2,3)12-6-4-5-7-14(12)19-22(20,21)15-9-8-11(17)10-13(15)18/h4-10,19H,1-3H3.
What are the key properties of 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide has a molecular weight of 402.74 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 7939182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).