N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C19H28N2O3S — CID 1068516

IUPACN-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H28N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h10-11,14,17H,2-9,12-13H2,1H3,(H,20,22)
InChIKeySJEJLXFLDJTETB-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.23
Rot. Bonds4

About N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1068516) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1068516
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H28N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h10-11,14,17H,2-9,12-13H2,1H3,(H,20,22)
InChIKeySJEJLXFLDJTETB-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7126622
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7186323
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2963677
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 40635286
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528590
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 1068516) is N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SJEJLXFLDJTETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h10-11,14,17H,2-9,12-13H2,1H3,(H,20,22).
What are the key properties of N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 364.51 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1068516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).