1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide

C20H29ClN2O3S — CID 69258229

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C20H29ClN2O3S/c1-15-18(21)11-6-12-19(15)27(25,26)23-13-7-8-16(14-23)20(24)22-17-9-4-2-3-5-10-17/h6,11-12,16-17H,2-5,7-10,13-14H2,1H3,(H,22,24)
InChIKeyZLPRPBUYUNTRAJ-UHFFFAOYSA-N
MW412.98 g/mol
LogP3.89
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide

1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide (PubChem CID 69258229) has the molecular formula C20H29ClN2O3S and a molecular weight of 412.98 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
PubChem CID69258229
Molecular FormulaC20H29ClN2O3S
Molecular Weight412.98 g/mol
Exact Mass412.16
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C20H29ClN2O3S/c1-15-18(21)11-6-12-19(15)27(25,26)23-13-7-8-16(14-23)20(24)22-17-9-4-2-3-5-10-17/h6,11-12,16-17H,2-5,7-10,13-14H2,1H3,(H,22,24)
InChIKeyZLPRPBUYUNTRAJ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide (CID 69258229) is 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide?
The InChIKey is ZLPRPBUYUNTRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3S/c1-15-18(21)11-6-12-19(15)27(25,26)23-13-7-8-16(14-23)20(24)22-17-9-4-2-3-5-10-17/h6,11-12,16-17H,2-5,7-10,13-14H2,1H3,(H,22,24).
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide?
1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide has a molecular weight of 412.98 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide is sourced from PubChem (CID 69258229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).