N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide

C26H30ClFN4O2S — CID 58127221

IUPACN-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(Cc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C26H30ClFN4O2S/c1-2-35(33,34)32-21-11-9-18(10-12-21)14-22-15-23(24(27)17-29-22)25-7-4-8-26(31-25)30-16-19-5-3-6-20(28)13-19/h3-8,13,15,17-18,21,32H,2,9-12,14,16H2,1H3,(H,30,31)
InChIKeyZBMAUEFZPCSRKQ-UHFFFAOYSA-N
MW517.07 g/mol
LogP5.59
Rot. Bonds9

About N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide

N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide (PubChem CID 58127221) has the molecular formula C26H30ClFN4O2S and a molecular weight of 517.07 g/mol. Its IUPAC name is N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide
PubChem CID58127221
Molecular FormulaC26H30ClFN4O2S
Molecular Weight517.07 g/mol
Exact Mass516.18
IUPAC NameN-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(Cc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C26H30ClFN4O2S/c1-2-35(33,34)32-21-11-9-18(10-12-21)14-22-15-23(24(27)17-29-22)25-7-4-8-26(31-25)30-16-19-5-3-6-20(28)13-19/h3-8,13,15,17-18,21,32H,2,9-12,14,16H2,1H3,(H,30,31)
InChIKeyZBMAUEFZPCSRKQ-UHFFFAOYSA-N
XLogP5.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.07
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide with MolForge

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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-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-phenyl)-pyrazin-2-yl]-thiomorpholine 1,1-dioxide
CID 24857902
Cdk9-IN-2
CID 49855228
N-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CID 11525190
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
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 50906615
4-N-[5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 50906616
1-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine
CID 50906617
4-N-[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-N-(1,1-dioxothiolan-3-yl)cyclohexane-1,4-diamine
CID 50907027
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]pyrazin-2-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50907432
4-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 50907643

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide (CID 58127221) is N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(Cc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide?
The InChIKey is ZBMAUEFZPCSRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN4O2S/c1-2-35(33,34)32-21-11-9-18(10-12-21)14-22-15-23(24(27)17-29-22)25-7-4-8-26(31-25)30-16-19-5-3-6-20(28)13-19/h3-8,13,15,17-18,21,32H,2,9-12,14,16H2,1H3,(H,30,31).
What are the key properties of N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide?
N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide has a molecular weight of 517.07 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 58127221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).