2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide

C18H15ClN4O5S — CID 36866380

IUPAC2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C18H15ClN4O5S/c19-14-7-6-12(17(24)22-23-18(25)15-5-1-2-8-20-15)10-16(14)29(26,27)21-11-13-4-3-9-28-13/h1-10,21H,11H2,(H,22,24)(H,23,25)
InChIKeyJCKJHTHSHVSFFG-UHFFFAOYSA-N
MW434.86 g/mol
LogP1.88
Rot. Bonds6

About 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide

2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 36866380) has the molecular formula C18H15ClN4O5S and a molecular weight of 434.86 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID36866380
Molecular FormulaC18H15ClN4O5S
Molecular Weight434.86 g/mol
Exact Mass434.05
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C18H15ClN4O5S/c19-14-7-6-12(17(24)22-23-18(25)15-5-1-2-8-20-15)10-16(14)29(26,27)21-11-13-4-3-9-28-13/h1-10,21H,11H2,(H,22,24)(H,23,25)
InChIKeyJCKJHTHSHVSFFG-UHFFFAOYSA-N
XLogP1.88
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide 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

2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 55350553
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36866343
N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 24672563
4-chloro-N-(4-ethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36705186
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
CID 4882410
4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36717175
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38853493
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
4-ethoxy-3-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 171140383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 36866380) is 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide is O=C(NNC(=O)c1ccccn1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is JCKJHTHSHVSFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O5S/c19-14-7-6-12(17(24)22-23-18(25)15-5-1-2-8-20-15)10-16(14)29(26,27)21-11-13-4-3-9-28-13/h1-10,21H,11H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 434.86 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 36866380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).