4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride

C16H26Cl2N4O3S — CID 119843917

IUPAC4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCCC1
InChIInChI=1S/C16H24N4O3S.2ClH/c17-16(7-1-2-8-16)15(21)20-11-9-19(10-12-20)13-3-5-14(6-4-13)24(18,22)23;;/h3-6H,1-2,7-12,17H2,(H2,18,22,23);2*1H
InChIKeyGWCONCQHWZSGBA-UHFFFAOYSA-N
MW425.38 g/mol
LogP1.10
Rot. Bonds3

About 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride

4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (PubChem CID 119843917) has the molecular formula C16H26Cl2N4O3S and a molecular weight of 425.38 g/mol. Its IUPAC name is 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
PubChem CID119843917
Molecular FormulaC16H26Cl2N4O3S
Molecular Weight425.38 g/mol
Exact Mass424.11
IUPAC Name4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCCC1
InChIInChI=1S/C16H24N4O3S.2ClH/c17-16(7-1-2-8-16)15(21)20-11-9-19(10-12-20)13-3-5-14(6-4-13)24(18,22)23;;/h3-6H,1-2,7-12,17H2,(H2,18,22,23);2*1H
InChIKeyGWCONCQHWZSGBA-UHFFFAOYSA-N
XLogP1.10
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843903
(1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119858355
(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119265625
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360
(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265567
(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 119265347
(1-aminocyclopentyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828301
(1-aminocyclopentyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119265754
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 166184387
(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266651

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride (CID 119843917) is 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCCC1.
What is the InChIKey of 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
The InChIKey is GWCONCQHWZSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S.2ClH/c17-16(7-1-2-8-16)15(21)20-11-9-19(10-12-20)13-3-5-14(6-4-13)24(18,22)23;;/h3-6H,1-2,7-12,17H2,(H2,18,22,23);2*1H.
What are the key properties of 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride?
4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride has a molecular weight of 425.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119843917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).