N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide

C21H32N2O3S — CID 109061212

IUPACN-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H32N2O3S/c1-2-19-11-7-8-16-23(19)21(24)17-12-14-20(15-13-17)27(25,26)22-18-9-5-3-4-6-10-18/h12-15,18-19,22H,2-11,16H2,1H3
InChIKeyVYOJPWYZBMWESZ-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.09
Rot. Bonds5

About N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide

N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109061212) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID109061212
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H32N2O3S/c1-2-19-11-7-8-16-23(19)21(24)17-12-14-20(15-13-17)27(25,26)22-18-9-5-3-4-6-10-18/h12-15,18-19,22H,2-11,16H2,1H3
InChIKeyVYOJPWYZBMWESZ-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31852345
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-ethylpiperidin-1-yl)-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methanone
CID 87000434
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 71984061
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide (CID 109061212) is N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide is CCC1CCCCN1C(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VYOJPWYZBMWESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-2-19-11-7-8-16-23(19)21(24)17-12-14-20(15-13-17)27(25,26)22-18-9-5-3-4-6-10-18/h12-15,18-19,22H,2-11,16H2,1H3.
What are the key properties of N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide?
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 392.57 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109061212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).