N-butyl-N-ethyl-4-methylbenzenesulfonamide

C13H21NO2S — CID 2164632

IUPACN-butyl-N-ethyl-4-methylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO2S/c1-4-6-11-14(5-2)17(15,16)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3
InChIKeyCYNQPLYBFFTOKF-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.81
Rot. Bonds6

About N-butyl-N-ethyl-4-methylbenzenesulfonamide

N-butyl-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 2164632) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-methylbenzenesulfonamide
PubChem CID2164632
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-butyl-N-ethyl-4-methylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO2S/c1-4-6-11-14(5-2)17(15,16)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3
InChIKeyCYNQPLYBFFTOKF-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-butyl-N-ethyl-4-methylbenzenesulfonamide (CID 2164632) is N-butyl-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-N-ethyl-4-methylbenzenesulfonamide is CCCCN(CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butyl-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is CYNQPLYBFFTOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-6-11-14(5-2)17(15,16)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-4-methylbenzenesulfonamide?
N-butyl-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 2164632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).