2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C20H29ClN2O3S — CID 17478468

IUPAC2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C20H29ClN2O3S/c1-27(25,26)16-8-9-18(21)17(14-16)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)
InChIKeyOLHBGBXCXPYQQR-UHFFFAOYSA-N
MW412.98 g/mol
LogP3.66
Rot. Bonds5

About 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 17478468) has the molecular formula C20H29ClN2O3S and a molecular weight of 412.98 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID17478468
Molecular FormulaC20H29ClN2O3S
Molecular Weight412.98 g/mol
Exact Mass412.16
IUPAC Name2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C20H29ClN2O3S/c1-27(25,26)16-8-9-18(21)17(14-16)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24)
InChIKeyOLHBGBXCXPYQQR-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.98
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
CID 2561314
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-4-methyl-N-[(4-piperidin-1-yl-1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 143452817
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
2-chloro-5-(diethylsulfamoyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 9119785
2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 34141661
2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2449625
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 46512676
4-chloro-2-methyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764258
2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 39177580
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 17478468) is 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is OLHBGBXCXPYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3S/c1-27(25,26)16-8-9-18(21)17(14-16)19(24)22-15-20(10-4-2-5-11-20)23-12-6-3-7-13-23/h8-9,14H,2-7,10-13,15H2,1H3,(H,22,24).
What are the key properties of 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 412.98 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 17478468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).