2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

C16H18BrNO2S — CID 61384326

IUPAC2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-12(2)14-9-7-13(8-10-14)11-18-21(19,20)16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3
InChIKeyCZDKGXUJISLTMH-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.05
Rot. Bonds5

About 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (PubChem CID 61384326) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
PubChem CID61384326
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-12(2)14-9-7-13(8-10-14)11-18-21(19,20)16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3
InChIKeyCZDKGXUJISLTMH-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248637
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139
2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107597110
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (CID 61384326) is 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is CC(C)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is CZDKGXUJISLTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-12(2)14-9-7-13(8-10-14)11-18-21(19,20)16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 61384326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).