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

C14H14ClN3O3S — CID 25025053

IUPAC5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H14ClN3O3S/c1-22(20,21)11-4-2-3-9(5-11)7-18-8-10(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)/b16-13-
InChIKeyDNFZOZVDACIQML-SSZFMOIBSA-N
MW339.80 g/mol
LogP1.17
Rot. Bonds4

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

5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 25025053) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
PubChem CID25025053
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H14ClN3O3S/c1-22(20,21)11-4-2-3-9(5-11)7-18-8-10(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)/b16-13-
InChIKeyDNFZOZVDACIQML-SSZFMOIBSA-N
XLogP1.17
TPSA106.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide (CID 25025053) is 5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is DNFZOZVDACIQML-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-22(20,21)11-4-2-3-9(5-11)7-18-8-10(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)/b16-13-.
What are the key properties of 5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide?
5-chloro-2-imino-1-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 1.17, 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-[(3-methylsulfonylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 25025053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).