N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide

C13H13ClN4O3S — CID 108574675

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C13H13ClN4O3S/c14-10-1-3-11(4-2-10)22(20,21)18-8-7-17-13(19)12-9-15-5-6-16-12/h1-6,9,18H,7-8H2,(H,17,19)
InChIKeyQQBSLMQLWYLCOV-UHFFFAOYSA-N
MW340.79 g/mol
LogP0.84
Rot. Bonds6

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide (PubChem CID 108574675) has the molecular formula C13H13ClN4O3S and a molecular weight of 340.79 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide
PubChem CID108574675
Molecular FormulaC13H13ClN4O3S
Molecular Weight340.79 g/mol
Exact Mass340.04
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C13H13ClN4O3S/c14-10-1-3-11(4-2-10)22(20,21)18-8-7-17-13(19)12-9-15-5-6-16-12/h1-6,9,18H,7-8H2,(H,17,19)
InChIKeyQQBSLMQLWYLCOV-UHFFFAOYSA-N
XLogP0.84
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide
CID 70638448
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 8990848
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108573390
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide (CID 108574675) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide is O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1cnccn1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide?
The InChIKey is QQBSLMQLWYLCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3S/c14-10-1-3-11(4-2-10)22(20,21)18-8-7-17-13(19)12-9-15-5-6-16-12/h1-6,9,18H,7-8H2,(H,17,19).
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide has a molecular weight of 340.79 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 108574675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).