N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H29FN2O3S — CID 57400305

IUPACN-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C20H29FN2O3S/c1-15-14-17(21)8-9-19(15)27(25,26)23-12-10-16(11-13-23)20(24)22-18-6-4-2-3-5-7-18/h8-9,14,16,18H,2-7,10-13H2,1H3,(H,22,24)
InChIKeyRZGMYSQGNODGBR-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.37
Rot. Bonds4

About N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 57400305) has the molecular formula C20H29FN2O3S and a molecular weight of 396.53 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID57400305
Molecular FormulaC20H29FN2O3S
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC NameN-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C20H29FN2O3S/c1-15-14-17(21)8-9-19(15)27(25,26)23-12-10-16(11-13-23)20(24)22-18-6-4-2-3-5-7-18/h8-9,14,16,18H,2-7,10-13H2,1H3,(H,22,24)
InChIKeyRZGMYSQGNODGBR-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
3-(benzenesulfonamido)-N-(4-methylcyclohexyl)propanamide
CID 24687507
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-(cyclohexylmethyl)-1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 24241093
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26413325

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 57400305) is N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(F)ccc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RZGMYSQGNODGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3S/c1-15-14-17(21)8-9-19(15)27(25,26)23-12-10-16(11-13-23)20(24)22-18-6-4-2-3-5-7-18/h8-9,14,16,18H,2-7,10-13H2,1H3,(H,22,24).
What are the key properties of N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 57400305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).