N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

C20H30N2O3S — CID 109065250

IUPACN-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)C1
InChIInChI=1S/C20H30N2O3S/c1-16-8-7-13-22(15-16)26(24,25)19-12-6-9-17(14-19)20(23)21-18-10-4-2-3-5-11-18/h6,9,12,14,16,18H,2-5,7-8,10-11,13,15H2,1H3,(H,21,23)
InChIKeyXZTLCACYYRIZCO-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.56
Rot. Bonds4

About N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 109065250) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID109065250
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)C1
InChIInChI=1S/C20H30N2O3S/c1-16-8-7-13-22(15-16)26(24,25)19-12-6-9-17(14-19)20(23)21-18-10-4-2-3-5-11-18/h6,9,12,14,16,18H,2-5,7-8,10-11,13,15H2,1H3,(H,21,23)
InChIKeyXZTLCACYYRIZCO-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065568
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 167493964
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
(3S,4S)-1-[3-(cyclopropylcarbamoyl)phenyl]sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122104117
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 16548323
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-pyrrolidin-1-ylsulfonyl-N-[4-[[4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5202113
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 124785712

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 109065250) is N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCN(S(=O)(=O)c2cccc(C(=O)NC3CCCCCC3)c2)C1.
What is the InChIKey of N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is XZTLCACYYRIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-16-8-7-13-22(15-16)26(24,25)19-12-6-9-17(14-19)20(23)21-18-10-4-2-3-5-11-18/h6,9,12,14,16,18H,2-5,7-8,10-11,13,15H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 378.54 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 109065250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).