N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide

C14H21NO4S — CID 6457913

IUPACN-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCC2)c(OC)cc1C
InChIInChI=1S/C14H21NO4S/c1-10-8-13(19-3)14(9-12(10)18-2)20(16,17)15-11-6-4-5-7-11/h8-9,11,15H,4-7H2,1-3H3
InChIKeyQATGSUZEHOKBAW-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.23
Rot. Bonds5

About N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide

N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide (PubChem CID 6457913) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide
PubChem CID6457913
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCC2)c(OC)cc1C
InChIInChI=1S/C14H21NO4S/c1-10-8-13(19-3)14(9-12(10)18-2)20(16,17)15-11-6-4-5-7-11/h8-9,11,15H,4-7H2,1-3H3
InChIKeyQATGSUZEHOKBAW-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dimethoxy-4-methylthioamphetamine
CID 143828
2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 648432
N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
CID 967889
2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 3543875
2,5-dimethoxy-N-(1-methyl-3-phenylpropyl)benzenesulfonamide
CID 3855527
1-(2,5-Dimethoxy-4-methylsulfanyl-benzyl)-propylamine
CID 20315278
2,5-Dimethoxy-4-(methylsulfonyl)amphetamine
CID 542054
2-[4-(Tert-butyldisulfanyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 177642311
2-(4-Tert-butylsulfonyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride
CID 177643709
2-[4-(Fluoromethylsulfonyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 177645057
2-[4-(Difluoromethylsulfonyl)-2,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 177652875
2-[2,5-Dimethoxy-4-(trifluoromethylsulfonyl)phenyl]ethanamine;hydrochloride
CID 177655671

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide (CID 6457913) is N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCC2)c(OC)cc1C.
What is the InChIKey of N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The InChIKey is QATGSUZEHOKBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-8-13(19-3)14(9-12(10)18-2)20(16,17)15-11-6-4-5-7-11/h8-9,11,15H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 6457913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).