N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide

C17H26N2O3S — CID 134019044

IUPACN-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C17H26N2O3S/c1-3-12-23(21,22)18-15-9-7-8-14(13-15)17(20)19-11-6-5-10-16(19)4-2/h7-9,13,16,18H,3-6,10-12H2,1-2H3
InChIKeyBWDKRTJMMYSDQR-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.24
Rot. Bonds6

About N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide

N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 134019044) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID134019044
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C17H26N2O3S/c1-3-12-23(21,22)18-15-9-7-8-14(13-15)17(20)19-11-6-5-10-16(19)4-2/h7-9,13,16,18H,3-6,10-12H2,1-2H3
InChIKeyBWDKRTJMMYSDQR-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 119380877
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
CID 112511038
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propane-1-sulfonamide
CID 78846925
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 55555216
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide (CID 134019044) is N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)N2CCCCC2CC)c1.
What is the InChIKey of N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is BWDKRTJMMYSDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-12-23(21,22)18-15-9-7-8-14(13-15)17(20)19-11-6-5-10-16(19)4-2/h7-9,13,16,18H,3-6,10-12H2,1-2H3.
What are the key properties of N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide?
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 134019044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).