4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide

C13H21NO3S — CID 956299

IUPAC4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(C)C)cc1C
InChIInChI=1S/C13H21NO3S/c1-10(2)7-8-14-18(15,16)12-5-6-13(17-4)11(3)9-12/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyGMSFNMYBZTVQIU-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.33
Rot. Bonds6

About 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide

4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 956299) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID956299
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(C)C)cc1C
InChIInChI=1S/C13H21NO3S/c1-10(2)7-8-14-18(15,16)12-5-6-13(17-4)11(3)9-12/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyGMSFNMYBZTVQIU-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 956299) is 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCC(C)C)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is GMSFNMYBZTVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(2)7-8-14-18(15,16)12-5-6-13(17-4)11(3)9-12/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 956299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).