3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide

C14H21NO4S — CID 114545216

IUPAC3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1OC
InChIInChI=1S/C14H21NO4S/c1-10-4-5-11(8-10)15-20(16,17)12-6-7-13(18-2)14(9-12)19-3/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyGGMCWJCAWPFJDH-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.17
Rot. Bonds5

About 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide

3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114545216) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114545216
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1OC
InChIInChI=1S/C14H21NO4S/c1-10-4-5-11(8-10)15-20(16,17)12-6-7-13(18-2)14(9-12)19-3/h6-7,9-11,15H,4-5,8H2,1-3H3
InChIKeyGGMCWJCAWPFJDH-UHFFFAOYSA-N
XLogP2.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 51672912
3,4-dimethoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 51672911
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 90635010

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114545216) is 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is GGMCWJCAWPFJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-4-5-11(8-10)15-20(16,17)12-6-7-13(18-2)14(9-12)19-3/h6-7,9-11,15H,4-5,8H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114545216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).