3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide

C10H13BrClNO2S — CID 106545074

IUPAC3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO2S/c1-10(2,3)13-16(14,15)7-4-5-9(12)8(11)6-7/h4-6,13H,1-3H3
InChIKeyJOBMQVJOWVGYNV-UHFFFAOYSA-N
MW326.64 g/mol
LogP3.18
Rot. Bonds2

About 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide

3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide (PubChem CID 106545074) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
PubChem CID106545074
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC Name3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO2S/c1-10(2,3)13-16(14,15)7-4-5-9(12)8(11)6-7/h4-6,13H,1-3H3
InChIKeyJOBMQVJOWVGYNV-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106546665
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
3-bromo-4-chloro-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 106606381
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
N-tert-butyl-4-chloro-3-propanoylbenzenesulfonamide
CID 70967988
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
(2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 106605293
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
3-bromo-4-chloro-N-ethoxybenzenesulfonamide
CID 106605703
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide (CID 106545074) is 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide?
The InChIKey is JOBMQVJOWVGYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-10(2,3)13-16(14,15)7-4-5-9(12)8(11)6-7/h4-6,13H,1-3H3.
What are the key properties of 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide?
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide has a molecular weight of 326.64 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106545074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).