2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide

C13H18BrNO2S — CID 60751139

IUPAC2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2S/c1-2-3-10-15(11-8-9-11)18(16,17)13-7-5-4-6-12(13)14/h4-7,11H,2-3,8-10H2,1H3
InChIKeyNWQCLVWYYDKCFH-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.40
Rot. Bonds6

About 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide

2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide (PubChem CID 60751139) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
PubChem CID60751139
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2S/c1-2-3-10-15(11-8-9-11)18(16,17)13-7-5-4-6-12(13)14/h4-7,11H,2-3,8-10H2,1H3
InChIKeyNWQCLVWYYDKCFH-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide (CID 60751139) is 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide?
The InChIKey is NWQCLVWYYDKCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-2-3-10-15(11-8-9-11)18(16,17)13-7-5-4-6-12(13)14/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide?
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide has a molecular weight of 332.26 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 60751139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).