N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C16H17Cl3N4O2S — CID 67508194

IUPACN-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1
InChIInChI=1S/C16H17Cl3N4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(14(19)9-20-15)16-13(18)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3
InChIKeyLKNDYPITDIDGGB-UHFFFAOYSA-N
MW435.76 g/mol
LogP3.62
Rot. Bonds4

About N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 67508194) has the molecular formula C16H17Cl3N4O2S and a molecular weight of 435.76 g/mol. Its IUPAC name is N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID67508194
Molecular FormulaC16H17Cl3N4O2S
Molecular Weight435.76 g/mol
Exact Mass434.01
IUPAC NameN-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1
InChIInChI=1S/C16H17Cl3N4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(14(19)9-20-15)16-13(18)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3
InChIKeyLKNDYPITDIDGGB-UHFFFAOYSA-N
XLogP3.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide 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

N-(3-Chloro-4-(((2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide
CID 91826086
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4,6-dimethyl-2-pyridinyl)-1-piperazinecarbothioamide
CID 49853301
1-(4-(5'-Chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one
CID 56956240
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-5-chloropyridin-2-ylamino)-2-methylpyridin-3-YL)methanesulfonamide
CID 59548192
N-[(1R)-2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-1-phenylethyl]-2-piperazin-1-ylethanesulfonamide
CID 68347135
1-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 50906614
5'-chloro-N6-(3-fluorobenzyl)-N2'-((1R,3S)-3-((methylamino)methyl)cyclopentyl)-2,4'-bipyridine-2',6-diamine
CID 50907863
4-N-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50908322
N2'-((1R,3R)-3-aminocyclopentyl)-5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 58127237
5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 58127283
4-N-[5-chloro-4-[6-[(1,1-dioxothian-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 58127444
5'-chloro-N6-(3-fluorobenzyl)-N2'-(piperidin-4-yl)-2,4'-bipyridine-2',6-diamine
CID 60142135

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 67508194) is N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1.
What is the InChIKey of N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is LKNDYPITDIDGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl3N4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(14(19)9-20-15)16-13(18)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3.
What are the key properties of N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 435.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-4-(3,5-dichloro-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 67508194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).