5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide

C15H17ClN4O2S — CID 143660736

IUPAC5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(S(=O)N(C)C)cc1
InChIInChI=1S/C15H17ClN4O2S/c1-19(2)23(22)12-5-3-10(4-6-12)8-20-9-11(16)7-13(14(20)17)15(18)21/h3-7,9,17H,8H2,1-2H3,(H2,18,21)/b17-14-
InChIKeyKTTJFIRNDSFRAQ-VKAVYKQESA-N
MW352.85 g/mol
LogP1.35
Rot. Bonds5

About 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 143660736) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID143660736
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(S(=O)N(C)C)cc1
InChIInChI=1S/C15H17ClN4O2S/c1-19(2)23(22)12-5-3-10(4-6-12)8-20-9-11(16)7-13(14(20)17)15(18)21/h3-7,9,17H,8H2,1-2H3,(H2,18,21)/b17-14-
InChIKeyKTTJFIRNDSFRAQ-VKAVYKQESA-N
XLogP1.35
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide (CID 143660736) is 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(S(=O)N(C)C)cc1.
What is the InChIKey of 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is KTTJFIRNDSFRAQ-VKAVYKQESA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-19(2)23(22)12-5-3-10(4-6-12)8-20-9-11(16)7-13(14(20)17)15(18)21/h3-7,9,17H,8H2,1-2H3,(H2,18,21)/b17-14-.
What are the key properties of 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 143660736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).