2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide

C22H16ClFN4O4S — CID 24541328

IUPAC2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H16ClFN4O4S/c23-18-10-5-13(11-20(18)33(31,32)28-15-8-6-14(24)7-9-15)21(29)26-27-22(30)17-12-25-19-4-2-1-3-16(17)19/h1-12,25,28H,(H,26,29)(H,27,30)
InChIKeyIGOIGWZCNXIGNV-UHFFFAOYSA-N
MW486.91 g/mol
LogP3.84
Rot. Bonds5

About 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide

2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 24541328) has the molecular formula C22H16ClFN4O4S and a molecular weight of 486.91 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID24541328
Molecular FormulaC22H16ClFN4O4S
Molecular Weight486.91 g/mol
Exact Mass486.06
IUPAC Name2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H16ClFN4O4S/c23-18-10-5-13(11-20(18)33(31,32)28-15-8-6-14(24)7-9-15)21(29)26-27-22(30)17-12-25-19-4-2-1-3-16(17)19/h1-12,25,28H,(H,26,29)(H,27,30)
InChIKeyIGOIGWZCNXIGNV-UHFFFAOYSA-N
XLogP3.84
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.91
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980122
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 35008871
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24649153
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 30380701
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide (CID 24541328) is 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide is O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is IGOIGWZCNXIGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O4S/c23-18-10-5-13(11-20(18)33(31,32)28-15-8-6-14(24)7-9-15)21(29)26-27-22(30)17-12-25-19-4-2-1-3-16(17)19/h1-12,25,28H,(H,26,29)(H,27,30).
What are the key properties of 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide?
2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 486.91 g/mol, XLogP of 3.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24541328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).