N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide

C19H17N3O3S — CID 9153775

IUPACN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccncc1
InChIInChI=1S/C19H17N3O3S/c23-19(15-8-11-20-12-9-15)22-14-18(16-5-4-10-21-13-16)26(24,25)17-6-2-1-3-7-17/h1-13,18H,14H2,(H,22,23)/t18-/m1/s1
InChIKeyOMBXRIKRJDSLKF-GOSISDBHSA-N
MW367.43 g/mol
LogP2.42
Rot. Bonds6

About N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide

N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide (PubChem CID 9153775) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
PubChem CID9153775
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccncc1
InChIInChI=1S/C19H17N3O3S/c23-19(15-8-11-20-12-9-15)22-14-18(16-5-4-10-21-13-16)26(24,25)17-6-2-1-3-7-17/h1-13,18H,14H2,(H,22,23)/t18-/m1/s1
InChIKeyOMBXRIKRJDSLKF-GOSISDBHSA-N
XLogP2.42
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide
CID 42272406
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]pyridine-3-carboxamide
CID 9159404
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide (CID 9153775) is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide is O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccncc1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide?
The InChIKey is OMBXRIKRJDSLKF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-19(15-8-11-20-12-9-15)22-14-18(16-5-4-10-21-13-16)26(24,25)17-6-2-1-3-7-17/h1-13,18H,14H2,(H,22,23)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide?
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 9153775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).