N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide

C20H29N3O5S2 — CID 55569691

IUPACN-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C20H29N3O5S2/c24-20(23-11-9-22(10-12-23)18-8-13-29(25,26)15-18)16-4-3-7-19(14-16)30(27,28)21-17-5-1-2-6-17/h3-4,7,14,17-18,21H,1-2,5-6,8-13,15H2
InChIKeyNLIFFWBDZAKTAH-UHFFFAOYSA-N
MW455.60 g/mol
LogP0.85
Rot. Bonds5

About N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide

N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55569691) has the molecular formula C20H29N3O5S2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55569691
Molecular FormulaC20H29N3O5S2
Molecular Weight455.60 g/mol
Exact Mass455.15
IUPAC NameN-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C20H29N3O5S2/c24-20(23-11-9-22(10-12-23)18-8-13-29(25,26)15-18)16-4-3-7-19(14-16)30(27,28)21-17-5-1-2-6-17/h3-4,7,14,17-18,21H,1-2,5-6,8-13,15H2
InChIKeyNLIFFWBDZAKTAH-UHFFFAOYSA-N
XLogP0.85
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 26004005
3-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 26004001
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
[3-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 112844471
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239665
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide (CID 55569691) is N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is NLIFFWBDZAKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S2/c24-20(23-11-9-22(10-12-23)18-8-13-29(25,26)15-18)16-4-3-7-19(14-16)30(27,28)21-17-5-1-2-6-17/h3-4,7,14,17-18,21H,1-2,5-6,8-13,15H2.
What are the key properties of N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide?
N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 455.60 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55569691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).