N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride

C17H25ClN4O4S — CID 119476514

IUPACN-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1
InChIInChI=1S/C17H24N4O4S.ClH/c18-13-3-5-14(6-4-13)20-17(23)12-1-7-15(8-2-12)26(24,25)21-10-9-19-16(22)11-21;/h1-2,7-8,13-14H,3-6,9-11,18H2,(H,19,22)(H,20,23);1H
InChIKeyPGIJEBPPDRNZLK-UHFFFAOYSA-N
MW416.93 g/mol
LogP0.23
Rot. Bonds4

About N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride

N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119476514) has the molecular formula C17H25ClN4O4S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119476514
Molecular FormulaC17H25ClN4O4S
Molecular Weight416.93 g/mol
Exact Mass416.13
IUPAC NameN-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1
InChIInChI=1S/C17H24N4O4S.ClH/c18-13-3-5-14(6-4-13)20-17(23)12-1-7-15(8-2-12)26(24,25)21-10-9-19-16(22)11-21;/h1-2,7-8,13-14H,3-6,9-11,18H2,(H,19,22)(H,20,23);1H
InChIKeyPGIJEBPPDRNZLK-UHFFFAOYSA-N
XLogP0.23
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119457140
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CID 119573926
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
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4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120820086
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
4-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 119467777
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
N-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzamide
CID 43817694
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride (CID 119476514) is N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride is Cl.NC1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is PGIJEBPPDRNZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S.ClH/c18-13-3-5-14(6-4-13)20-17(23)12-1-7-15(8-2-12)26(24,25)21-10-9-19-16(22)11-21;/h1-2,7-8,13-14H,3-6,9-11,18H2,(H,19,22)(H,20,23);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride?
N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 416.93 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119476514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).