4-bromo-N-(3-methylbutyl)benzenesulfonamide

C11H16BrNO2S — CID 669771

IUPAC4-bromo-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2S/c1-9(2)7-8-13-16(14,15)11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyVIRJJSPXPLQYAN-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.77
Rot. Bonds5

About 4-bromo-N-(3-methylbutyl)benzenesulfonamide

4-bromo-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 669771) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 4-bromo-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-methylbutyl)benzenesulfonamide
PubChem CID669771
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name4-bromo-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2S/c1-9(2)7-8-13-16(14,15)11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyVIRJJSPXPLQYAN-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297752
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
2-bromo-5-(3-methylbutylsulfamoyl)benzoic acid
CID 43216892
4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 110292936
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-methylbutyl)benzenesulfonamide (CID 669771) is 4-bromo-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is VIRJJSPXPLQYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-9(2)7-8-13-16(14,15)11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-(3-methylbutyl)benzenesulfonamide?
4-bromo-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 306.23 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 669771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).