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

C16H18BrNO2S — CID 3263186

IUPAC2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-16(2,3)12-8-10-13(11-9-12)18-21(19,20)15-7-5-4-6-14(15)17/h4-11,18H,1-3H3
InChIKeyITCIZCQORMXLRS-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.55
Rot. Bonds3

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

2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide (PubChem CID 3263186) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
PubChem CID3263186
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-16(2,3)12-8-10-13(11-9-12)18-21(19,20)15-7-5-4-6-14(15)17/h4-11,18H,1-3H3
InChIKeyITCIZCQORMXLRS-UHFFFAOYSA-N
XLogP4.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
2-bromo-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65030964
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-[4-(2-bromoethyl)phenyl]benzenesulfonamide
CID 114296440
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
2-bromo-N-methylbenzenesulfonamide
CID 850141
N-[4-[(2-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 17459656
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide (CID 3263186) is 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide is CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide?
The InChIKey is ITCIZCQORMXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-16(2,3)12-8-10-13(11-9-12)18-21(19,20)15-7-5-4-6-14(15)17/h4-11,18H,1-3H3.
What are the key properties of 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide?
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide is sourced from PubChem (CID 3263186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).