N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide

C17H13ClN4OS — CID 170977185

IUPACN-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(SNc2ccccc2Cl)c1)c1cnccn1
InChIInChI=1S/C17H13ClN4OS/c18-14-6-1-2-7-15(14)22-24-13-5-3-4-12(10-13)21-17(23)16-11-19-8-9-20-16/h1-11,22H,(H,21,23)
InChIKeyOYOZQKAHXWWWAZ-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.50
Rot. Bonds5

About N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide

N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide (PubChem CID 170977185) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide
PubChem CID170977185
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC NameN-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(SNc2ccccc2Cl)c1)c1cnccn1
InChIInChI=1S/C17H13ClN4OS/c18-14-6-1-2-7-15(14)22-24-13-5-3-4-12(10-13)21-17(23)16-11-19-8-9-20-16/h1-11,22H,(H,21,23)
InChIKeyOYOZQKAHXWWWAZ-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chloroanilino)sulfanylphenyl]pyridine-4-carboxamide
CID 170976894
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
2-chloro-N-[3-[(E)-2-pyrazin-2-ylprop-1-enyl]phenyl]benzamide
CID 129398081
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
3-(phenylsulfanylamino)-N-pyrazin-2-ylbenzamide
CID 170977014
N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 87001470
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide (CID 170977185) is N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(SNc2ccccc2Cl)c1)c1cnccn1.
What is the InChIKey of N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide?
The InChIKey is OYOZQKAHXWWWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS/c18-14-6-1-2-7-15(14)22-24-13-5-3-4-12(10-13)21-17(23)16-11-19-8-9-20-16/h1-11,22H,(H,21,23).
What are the key properties of N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide?
N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide has a molecular weight of 356.84 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroanilino)sulfanylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 170977185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).