N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide

C14H23NO2S — CID 2802941

IUPACN-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCN(C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO2S/c1-5-6-11-15(12(2)3)18(16,17)14-9-7-13(4)8-10-14/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRQMSGJMMPQSFJK-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.19
Rot. Bonds6

About N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide

N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 2802941) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID2802941
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCN(C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO2S/c1-5-6-11-15(12(2)3)18(16,17)14-9-7-13(4)8-10-14/h7-10,12H,5-6,11H2,1-4H3
InChIKeyRQMSGJMMPQSFJK-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide (CID 2802941) is N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide is CCCCN(C(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is RQMSGJMMPQSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-6-11-15(12(2)3)18(16,17)14-9-7-13(4)8-10-14/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide?
N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2802941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).