N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide

C17H25N3O3S — CID 110632659

IUPACN-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
SMILESCc1cccc(C(=O)N2CCN(S(=O)(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C17H25N3O3S/c1-14-5-4-6-15(13-14)17(21)19-9-11-20(12-10-19)24(22,23)18-16-7-2-3-8-16/h4-6,13,16,18H,2-3,7-12H2,1H3
InChIKeyAGYKWWPZEIPWIG-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.53
Rot. Bonds4

About N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide

N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide (PubChem CID 110632659) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
PubChem CID110632659
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
SMILESCc1cccc(C(=O)N2CCN(S(=O)(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C17H25N3O3S/c1-14-5-4-6-15(13-14)17(21)19-9-11-20(12-10-19)24(22,23)18-16-7-2-3-8-16/h4-6,13,16,18H,2-3,7-12H2,1H3
InChIKeyAGYKWWPZEIPWIG-UHFFFAOYSA-N
XLogP1.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110354943
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(3-methylphenyl)-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110798274
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
(3-methylphenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110294263
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide?
The IUPAC name of N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide (CID 110632659) is N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide is Cc1cccc(C(=O)N2CCN(S(=O)(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide?
The InChIKey is AGYKWWPZEIPWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-14-5-4-6-15(13-14)17(21)19-9-11-20(12-10-19)24(22,23)18-16-7-2-3-8-16/h4-6,13,16,18H,2-3,7-12H2,1H3.
What are the key properties of N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide?
N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 110632659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).