N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide

C18H20ClN3O3S — CID 71172557

IUPACN-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C18H20ClN3O3S/c19-15-4-6-17(7-5-15)26(24,25)22-12-2-1-3-16(22)13-21-18(23)14-8-10-20-11-9-14/h4-11,16H,1-3,12-13H2,(H,21,23)/t16-/m1/s1
InChIKeyMNZJUFQNCJPAGT-MRXNPFEDSA-N
MW393.90 g/mol
LogP2.71
Rot. Bonds5

About N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 71172557) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide
PubChem CID71172557
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C18H20ClN3O3S/c19-15-4-6-17(7-5-15)26(24,25)22-12-2-1-3-16(22)13-21-18(23)14-8-10-20-11-9-14/h4-11,16H,1-3,12-13H2,(H,21,23)/t16-/m1/s1
InChIKeyMNZJUFQNCJPAGT-MRXNPFEDSA-N
XLogP2.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
4-[(4-bromobenzoyl)amino]-N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]benzamide
CID 166347794
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
CID 18574803
3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 16829934
N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16829927
N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195983

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide (CID 71172557) is N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccncc1.
What is the InChIKey of N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is MNZJUFQNCJPAGT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-15-4-6-17(7-5-15)26(24,25)22-12-2-1-3-16(22)13-21-18(23)14-8-10-20-11-9-14/h4-11,16H,1-3,12-13H2,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 71172557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).