5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride

C14H15Cl2N3O3S — CID 66970134

IUPAC5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H14ClN3O3S.ClH/c1-22(20,21)12-5-3-2-4-9(12)7-18-8-10(15)6-11(13(18)16)14(17)19;/h2-6,8,16H,7H2,1H3,(H2,17,19);1H/b16-13-;
InChIKeyWQXBQBFTJJVZNU-UNVLYCKESA-N
MW376.27 g/mol
LogP1.59
Rot. Bonds4

About 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride

5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 66970134) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID66970134
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC Name5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H14ClN3O3S.ClH/c1-22(20,21)12-5-3-2-4-9(12)7-18-8-10(15)6-11(13(18)16)14(17)19;/h2-6,8,16H,7H2,1H3,(H2,17,19);1H/b16-13-;
InChIKeyWQXBQBFTJJVZNU-UNVLYCKESA-N
XLogP1.59
TPSA106.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tak-259
CID 44247584
5-Chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 25025053
5-Chloro-1-[(3-chloro-4-methylsulfonylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 57929588
5-Chloro-1-[(3-chloro-5-methylsulfonylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 57929612
5-Chloro-2-imino-1-[1-(3-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide
CID 58149995
5-Chloro-1-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride
CID 145965623
5-Chloro-1-[(5-fluoro-2-methylsulfonylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 44467164
5-Chloro-1-[(2-ethylsulfonyl-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 44467238
5-chloro-1-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-iminopyridine-3-carboxamide
CID 44470114
5-Chloro-1-[[5-fluoro-2-(methylsulfamoyl)phenyl]methyl]-2-iminopyridine-3-carboxamide
CID 57929586
5-Chloro-1-[(5-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 57929594
5-Chloro-1-[(5-fluoro-2-piperidin-1-ylsulfonylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 57929595

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride (CID 66970134) is 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride is Cl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccccc1S(C)(=O)=O.
What is the InChIKey of 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is WQXBQBFTJJVZNU-UNVLYCKESA-N. The full InChI is InChI=1S/C14H14ClN3O3S.ClH/c1-22(20,21)12-5-3-2-4-9(12)7-18-8-10(15)6-11(13(18)16)14(17)19;/h2-6,8,16H,7H2,1H3,(H2,17,19);1H/b16-13-;.
What are the key properties of 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 376.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 66970134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).