5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide

C15H22ClNO3S — CID 7314568

IUPAC5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H22ClNO3S/c1-3-8-20-14-9-11(2)13(16)10-15(14)21(18,19)17-12-6-4-5-7-12/h9-10,12,17H,3-8H2,1-2H3
InChIKeyAVHBGMFYBFTVRA-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.66
Rot. Bonds6

About 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide

5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide (PubChem CID 7314568) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
PubChem CID7314568
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H22ClNO3S/c1-3-8-20-14-9-11(2)13(16)10-15(14)21(18,19)17-12-6-4-5-7-12/h9-10,12,17H,3-8H2,1-2H3
InChIKeyAVHBGMFYBFTVRA-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
CID 124680601
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823
(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine
CID 35201851
2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793368
5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide
CID 172893941
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 40793380
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
N-[(2R)-butan-2-yl]-5-chloro-4-methyl-2-pentoxybenzenesulfonamide
CID 42065856
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide (CID 7314568) is 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide is CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide?
The InChIKey is AVHBGMFYBFTVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-3-8-20-14-9-11(2)13(16)10-15(14)21(18,19)17-12-6-4-5-7-12/h9-10,12,17H,3-8H2,1-2H3.
What are the key properties of 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide?
5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide is sourced from PubChem (CID 7314568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).