2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide

C20H29ClN2O3S — CID 25162143

IUPAC2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCC1CCCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1C
InChIInChI=1S/C20H29ClN2O3S/c1-14-7-6-8-19(15(14)2)22-20(24)17-13-16(9-10-18(17)21)27(25,26)23-11-4-3-5-12-23/h9-10,13-15,19H,3-8,11-12H2,1-2H3,(H,22,24)
InChIKeyCBEOTQVHLXSIQR-UHFFFAOYSA-N
MW412.98 g/mol
LogP4.07
Rot. Bonds4

About 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 25162143) has the molecular formula C20H29ClN2O3S and a molecular weight of 412.98 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID25162143
Molecular FormulaC20H29ClN2O3S
Molecular Weight412.98 g/mol
Exact Mass412.16
IUPAC Name2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCC1CCCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1C
InChIInChI=1S/C20H29ClN2O3S/c1-14-7-6-8-19(15(14)2)22-20(24)17-13-16(9-10-18(17)21)27(25,26)23-11-4-3-5-12-23/h9-10,13-15,19H,3-8,11-12H2,1-2H3,(H,22,24)
InChIKeyCBEOTQVHLXSIQR-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.98
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 41166521
6-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859157
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51548567
6-(azepan-1-ylsulfonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 98463412
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 41166690
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11932650
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide (CID 25162143) is 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide is CC1CCCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CBEOTQVHLXSIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3S/c1-14-7-6-8-19(15(14)2)22-20(24)17-13-16(9-10-18(17)21)27(25,26)23-11-4-3-5-12-23/h9-10,13-15,19H,3-8,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 412.98 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 25162143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).