3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide

C11H16BrNO2S — CID 67008794

IUPAC3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-4-9(3)13-16(14,15)10-6-5-8(2)11(12)7-10/h5-7,9,13H,4H2,1-3H3
InChIKeyFFRRHCSGKKRUGW-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.83
Rot. Bonds4

About 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide

3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide (PubChem CID 67008794) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
PubChem CID67008794
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-4-9(3)13-16(14,15)10-6-5-8(2)11(12)7-10/h5-7,9,13H,4H2,1-3H3
InChIKeyFFRRHCSGKKRUGW-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide
CID 124628497
[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716847
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
4-(5-amino-2-methylphenyl)-N-butan-2-ylbenzenesulfonamide
CID 110454016
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide (CID 67008794) is 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide?
The InChIKey is FFRRHCSGKKRUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-4-9(3)13-16(14,15)10-6-5-8(2)11(12)7-10/h5-7,9,13H,4H2,1-3H3.
What are the key properties of 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide?
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide has a molecular weight of 306.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide is sourced from PubChem (CID 67008794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).