2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide

C13H18BrNO2S — CID 6734789

IUPAC2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2S/c1-2-9-15(10-11-7-8-11)18(16,17)13-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3
InChIKeyLZXRJPTUGUKZDP-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.26
Rot. Bonds6

About 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide

2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide (PubChem CID 6734789) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
PubChem CID6734789
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2S/c1-2-9-15(10-11-7-8-11)18(16,17)13-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3
InChIKeyLZXRJPTUGUKZDP-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide (CID 6734789) is 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is LZXRJPTUGUKZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-2-9-15(10-11-7-8-11)18(16,17)13-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 332.26 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 6734789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).