N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide

C17H20BrNO2S — CID 22774646

IUPACN-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20BrNO2S/c1-12-11-14(18)7-10-16(12)19-22(20,21)15-8-5-13(6-9-15)17(2,3)4/h5-11,19H,1-4H3
InChIKeyBUDAWFWGKROJJG-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.86
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide

N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide (PubChem CID 22774646) has the molecular formula C17H20BrNO2S and a molecular weight of 382.32 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
PubChem CID22774646
Molecular FormulaC17H20BrNO2S
Molecular Weight382.32 g/mol
Exact Mass381.04
IUPAC NameN-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20BrNO2S/c1-12-11-14(18)7-10-16(12)19-22(20,21)15-8-5-13(6-9-15)17(2,3)4/h5-11,19H,1-4H3
InChIKeyBUDAWFWGKROJJG-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 1020031
N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 46800107
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
N-(4-bromo-2-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186001
4-amino-N-(4-bromo-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 82844080
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-(2-amino-4,5-dimethylphenyl)-4-bromobenzenesulfonamide
CID 62099632
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide (CID 22774646) is N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide?
The InChIKey is BUDAWFWGKROJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2S/c1-12-11-14(18)7-10-16(12)19-22(20,21)15-8-5-13(6-9-15)17(2,3)4/h5-11,19H,1-4H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide?
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide has a molecular weight of 382.32 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 22774646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).