1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide

C19H27ClN2O3S — CID 69262233

IUPAC1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C19H27ClN2O3S/c20-16-8-5-11-18(13-16)26(24,25)22-12-6-7-15(14-22)19(23)21-17-9-3-1-2-4-10-17/h5,8,11,13,15,17H,1-4,6-7,9-10,12,14H2,(H,21,23)
InChIKeyDSPKYDUEARCYFC-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.58
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide

1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide (PubChem CID 69262233) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
PubChem CID69262233
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C19H27ClN2O3S/c20-16-8-5-11-18(13-16)26(24,25)22-12-6-7-15(14-22)19(23)21-17-9-3-1-2-4-10-17/h5,8,11,13,15,17H,1-4,6-7,9-10,12,14H2,(H,21,23)
InChIKeyDSPKYDUEARCYFC-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-cyclopentylpiperidine-3-carboxamide
CID 92641664
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
(3S)-N-cyclohexyl-1-(3-phenoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11619138
1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175666701
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 92641774
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
4-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperazine-1-carbothioamide
CID 8745764
(3S)-1-(3,5-dichlorophenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 11618939

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide (CID 69262233) is 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide?
The InChIKey is DSPKYDUEARCYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c20-16-8-5-11-18(13-16)26(24,25)22-12-6-7-15(14-22)19(23)21-17-9-3-1-2-4-10-17/h5,8,11,13,15,17H,1-4,6-7,9-10,12,14H2,(H,21,23).
What are the key properties of 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide?
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide is sourced from PubChem (CID 69262233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).