N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide

C19H17ClN2O4S — CID 4789763

IUPACN-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(Cl)c1
InChIInChI=1S/C19H17ClN2O4S/c1-13-4-9-18(17(20)11-13)22-19(23)14-5-7-16(8-6-14)27(24,25)21-12-15-3-2-10-26-15/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyLCVHMZGHUWOGGE-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.97
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide

N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 4789763) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID4789763
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(Cl)c1
InChIInChI=1S/C19H17ClN2O4S/c1-13-4-9-18(17(20)11-13)22-19(23)14-5-7-16(8-6-14)27(24,25)21-12-15-3-2-10-26-15/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyLCVHMZGHUWOGGE-UHFFFAOYSA-N
XLogP3.97
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-fluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9146107
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 55347552
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38760567
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26637625
3-chloro-N-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 18892761
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 4789763) is N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is LCVHMZGHUWOGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-13-4-9-18(17(20)11-13)22-19(23)14-5-7-16(8-6-14)27(24,25)21-12-15-3-2-10-26-15/h2-11,21H,12H2,1H3,(H,22,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 404.88 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 4789763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).