N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C15H11ClN4O3S — CID 88957119

IUPACN-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)c2ccc(Cl)nc2)c1)c1ccccn1
InChIInChI=1S/C15H11ClN4O3S/c16-14-5-4-12(9-18-14)24(22,23)20-8-6-11(10-20)19-15(21)13-3-1-2-7-17-13/h1-10H,(H,19,21)
InChIKeyHGWIVENBNWTRGU-UHFFFAOYSA-N
MW362.80 g/mol
LogP2.42
Rot. Bonds4

About N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 88957119) has the molecular formula C15H11ClN4O3S and a molecular weight of 362.80 g/mol. Its IUPAC name is N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID88957119
Molecular FormulaC15H11ClN4O3S
Molecular Weight362.80 g/mol
Exact Mass362.02
IUPAC NameN-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)c2ccc(Cl)nc2)c1)c1ccccn1
InChIInChI=1S/C15H11ClN4O3S/c16-14-5-4-12(9-18-14)24(22,23)20-8-6-11(10-20)19-15(21)13-3-1-2-7-17-13/h1-10H,(H,19,21)
InChIKeyHGWIVENBNWTRGU-UHFFFAOYSA-N
XLogP2.42
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Contrast Agent CS-1000
CID 46934289
N-(4-(N-(2-chlorophenyl)sulfamoyl)phenyl)picolinamide
CID 46182708
N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 51347212
N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913077
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914100
N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52914310
N-[1-(4-chloro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914665
N-[1-[(5-chloro-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 68374351
1-(3-Chlorophenyl)-4-[4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
CID 16018606
4-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 141754920

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 88957119) is N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)c2ccc(Cl)nc2)c1)c1ccccn1.
What is the InChIKey of N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is HGWIVENBNWTRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3S/c16-14-5-4-12(9-18-14)24(22,23)20-8-6-11(10-20)19-15(21)13-3-1-2-7-17-13/h1-10H,(H,19,21).
What are the key properties of N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 362.80 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 88957119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).