4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

C20H33N3O3S — CID 87024812

IUPAC4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(OC2CCCC2)cc1)CN1CCN(C)CC1
InChIInChI=1S/C20H33N3O3S/c1-17(16-23-13-11-22(2)12-14-23)15-21-27(24,25)20-9-7-19(8-10-20)26-18-5-3-4-6-18/h7-10,17-18,21H,3-6,11-16H2,1-2H3
InChIKeyKCYTYNWPSSJGRC-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.17
Rot. Bonds8

About 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 87024812) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID87024812
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(OC2CCCC2)cc1)CN1CCN(C)CC1
InChIInChI=1S/C20H33N3O3S/c1-17(16-23-13-11-22(2)12-14-23)15-21-27(24,25)20-9-7-19(8-10-20)26-18-5-3-4-6-18/h7-10,17-18,21H,3-6,11-16H2,1-2H3
InChIKeyKCYTYNWPSSJGRC-UHFFFAOYSA-N
XLogP2.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60531038
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075062
4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 110408180
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47372669
N-[(4-chlorophenyl)methyl]-4-cyclopentyloxybenzenesulfonamide
CID 113098120
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
4-cyclopentyloxy-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662791

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 87024812) is 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(OC2CCCC2)cc1)CN1CCN(C)CC1.
What is the InChIKey of 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is KCYTYNWPSSJGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-17(16-23-13-11-22(2)12-14-23)15-21-27(24,25)20-9-7-19(8-10-20)26-18-5-3-4-6-18/h7-10,17-18,21H,3-6,11-16H2,1-2H3.
What are the key properties of 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 395.57 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 87024812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).