4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

C20H32ClN3O3S — CID 120574887

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-15-19(9-6-14-21-15)22-20(24)16-10-12-18(13-11-16)27(25,26)23(2)17-7-4-3-5-8-17;/h10-13,15,17,19,21H,3-9,14H2,1-2H3,(H,22,24);1H
InChIKeyZCYCSTZKIOZCEM-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.93
Rot. Bonds5

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120574887) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID120574887
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-15-19(9-6-14-21-15)22-20(24)16-10-12-18(13-11-16)27(25,26)23(2)17-7-4-3-5-8-17;/h10-13,15,17,19,21H,3-9,14H2,1-2H3,(H,22,24);1H
InChIKeyZCYCSTZKIOZCEM-UHFFFAOYSA-N
XLogP2.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (CID 120574887) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is CC1NCCCC1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.Cl.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is ZCYCSTZKIOZCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-15-19(9-6-14-21-15)22-20(24)16-10-12-18(13-11-16)27(25,26)23(2)17-7-4-3-5-8-17;/h10-13,15,17,19,21H,3-9,14H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120574887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).