N-butyl-N,4-dimethylbenzenesulfonamide

C12H19NO2S — CID 593434

IUPACN-butyl-N,4-dimethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-5-10-13(3)16(14,15)12-8-6-11(2)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyFSRPKWKJORHFCN-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.42
Rot. Bonds5

About N-butyl-N,4-dimethylbenzenesulfonamide

N-butyl-N,4-dimethylbenzenesulfonamide (PubChem CID 593434) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-butyl-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N,4-dimethylbenzenesulfonamide
PubChem CID593434
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-butyl-N,4-dimethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-5-10-13(3)16(14,15)12-8-6-11(2)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyFSRPKWKJORHFCN-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-butyl-N,4-dimethylbenzenesulfonamide (CID 593434) is N-butyl-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-butyl-N,4-dimethylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butyl-N,4-dimethylbenzenesulfonamide?
The InChIKey is FSRPKWKJORHFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-5-10-13(3)16(14,15)12-8-6-11(2)7-9-12/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-N,4-dimethylbenzenesulfonamide?
N-butyl-N,4-dimethylbenzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 593434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).