2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide

C24H31ClN4O3S — CID 89482720

IUPAC2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide
SMILESNc1cccc(Cl)c1C(=O)NCC1(N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C24H31ClN4O3S/c25-20-10-7-11-21(26)22(20)23(30)27-18-24(12-5-2-6-13-24)28-14-16-29(17-15-28)33(31,32)19-8-3-1-4-9-19/h1,3-4,7-11H,2,5-6,12-18,26H2,(H,27,30)
InChIKeyOXHDVKXNKDMECC-UHFFFAOYSA-N
MW491.06 g/mol
LogP3.36
Rot. Bonds6

About 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide

2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide (PubChem CID 89482720) has the molecular formula C24H31ClN4O3S and a molecular weight of 491.06 g/mol. Its IUPAC name is 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide
PubChem CID89482720
Molecular FormulaC24H31ClN4O3S
Molecular Weight491.06 g/mol
Exact Mass490.18
IUPAC Name2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide
SMILESNc1cccc(Cl)c1C(=O)NCC1(N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C24H31ClN4O3S/c25-20-10-7-11-21(26)22(20)23(30)27-18-24(12-5-2-6-13-24)28-14-16-29(17-15-28)33(31,32)19-8-3-1-4-9-19/h1,3-4,7-11H,2,5-6,12-18,26H2,(H,27,30)
InChIKeyOXHDVKXNKDMECC-UHFFFAOYSA-N
XLogP3.36
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.06
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 45370708
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764523
2,6-dichloro-N-[[4,4-difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 89482512
2,6-dimethyl-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide
CID 89483503
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17483248
2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17478468
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
1-(2,6-dichlorophenyl)-3-[1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]propan-1-one;hydrochloride
CID 158388078
4-chloro-1-(oxetan-3-yl)-N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 121393311
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2449881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide?
The IUPAC name of 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide (CID 89482720) is 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide.
What is the SMILES notation for 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide?
The canonical SMILES for 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide is Nc1cccc(Cl)c1C(=O)NCC1(N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1.
What is the InChIKey of 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide?
The InChIKey is OXHDVKXNKDMECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O3S/c25-20-10-7-11-21(26)22(20)23(30)27-18-24(12-5-2-6-13-24)28-14-16-29(17-15-28)33(31,32)19-8-3-1-4-9-19/h1,3-4,7-11H,2,5-6,12-18,26H2,(H,27,30).
What are the key properties of 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide?
2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide has a molecular weight of 491.06 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide is sourced from PubChem (CID 89482720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).