4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide

C16H14N4O3S — CID 71061353

IUPAC4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(N)c(C(N)=O)nnc3c2)cc1
InChIInChI=1S/C16H14N4O3S/c1-24(22,23)11-5-2-9(3-6-11)10-4-7-12-13(8-10)19-20-15(14(12)17)16(18)21/h2-8H,1H3,(H2,17,19)(H2,18,21)
InChIKeyLGJDNSHFSUCVIW-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.38
Rot. Bonds3

About 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide

4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide (PubChem CID 71061353) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
PubChem CID71061353
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(N)c(C(N)=O)nnc3c2)cc1
InChIInChI=1S/C16H14N4O3S/c1-24(22,23)11-5-2-9(3-6-11)10-4-7-12-13(8-10)19-20-15(14(12)17)16(18)21/h2-8H,1H3,(H2,17,19)(H2,18,21)
InChIKeyLGJDNSHFSUCVIW-UHFFFAOYSA-N
XLogP1.38
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide (CID 71061353) is 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide is CS(=O)(=O)c1ccc(-c2ccc3c(N)c(C(N)=O)nnc3c2)cc1.
What is the InChIKey of 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide?
The InChIKey is LGJDNSHFSUCVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-24(22,23)11-5-2-9(3-6-11)10-4-7-12-13(8-10)19-20-15(14(12)17)16(18)21/h2-8H,1H3,(H2,17,19)(H2,18,21).
What are the key properties of 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide?
4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 71061353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).