3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide

C9H11BrClNO2S — CID 106545028

IUPAC3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H11BrClNO2S/c1-6(2)12-15(13,14)7-3-4-9(11)8(10)5-7/h3-6,12H,1-2H3
InChIKeyDCBSWPPRTMXDNL-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.79
Rot. Bonds3

About 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide

3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide (PubChem CID 106545028) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
PubChem CID106545028
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC Name3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H11BrClNO2S/c1-6(2)12-15(13,14)7-3-4-9(11)8(10)5-7/h3-6,12H,1-2H3
InChIKeyDCBSWPPRTMXDNL-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
3-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-chlorobenzenesulfonamide
CID 106613118
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 106546751
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
tert-butyl (2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoate
CID 106546567
tert-butyl (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoate
CID 106546545
(2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 106605293
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide (CID 106545028) is 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DCBSWPPRTMXDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-6(2)12-15(13,14)7-3-4-9(11)8(10)5-7/h3-6,12H,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide?
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106545028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).