4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide

C19H14ClN3O4S — CID 36717175

IUPAC4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C19H14ClN3O4S/c20-17-7-6-14(19(24)23-15-4-1-3-13(9-15)11-21)10-18(17)28(25,26)22-12-16-5-2-8-27-16/h1-10,22H,12H2,(H,23,24)
InChIKeyGBJBHIHMCOGWMQ-UHFFFAOYSA-N
MW415.86 g/mol
LogP3.54
Rot. Bonds6

About 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide

4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 36717175) has the molecular formula C19H14ClN3O4S and a molecular weight of 415.86 g/mol. Its IUPAC name is 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID36717175
Molecular FormulaC19H14ClN3O4S
Molecular Weight415.86 g/mol
Exact Mass415.04
IUPAC Name4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C19H14ClN3O4S/c20-17-7-6-14(19(24)23-15-4-1-3-13(9-15)11-21)10-18(17)28(25,26)22-12-16-5-2-8-27-16/h1-10,22H,12H2,(H,23,24)
InChIKeyGBJBHIHMCOGWMQ-UHFFFAOYSA-N
XLogP3.54
TPSA112.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36866343
2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 55350553
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38853493
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 36866380
(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide
CID 25499038
4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
CID 4882410
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide (CID 36717175) is 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide is N#Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is GBJBHIHMCOGWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4S/c20-17-7-6-14(19(24)23-15-4-1-3-13(9-15)11-21)10-18(17)28(25,26)22-12-16-5-2-8-27-16/h1-10,22H,12H2,(H,23,24).
What are the key properties of 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 415.86 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 36717175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).