3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide

C19H13Cl3N2O3S — CID 2308611

IUPAC3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13Cl3N2O3S/c20-13-7-9-14(10-8-13)24-28(26,27)15-4-1-3-12(11-15)19(25)23-18-16(21)5-2-6-17(18)22/h1-11,24H,(H,23,25)
InChIKeyBKQUVVPVIOTRKH-UHFFFAOYSA-N
MW455.75 g/mol
LogP5.70
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide

3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide (PubChem CID 2308611) has the molecular formula C19H13Cl3N2O3S and a molecular weight of 455.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
PubChem CID2308611
Molecular FormulaC19H13Cl3N2O3S
Molecular Weight455.75 g/mol
Exact Mass453.97
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13Cl3N2O3S/c20-13-7-9-14(10-8-13)24-28(26,27)15-4-1-3-12(11-15)19(25)23-18-16(21)5-2-6-17(18)22/h1-11,24H,(H,23,25)
InChIKeyBKQUVVPVIOTRKH-UHFFFAOYSA-N
XLogP5.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.75
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
CID 70115356
N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642831
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
N-(4-chlorophenyl)-3-[(cyclopropanecarbonylamino)carbamoyl]benzenesulfonamide
CID 24642864
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642847
3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299728

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide (CID 2308611) is 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide is O=C(Nc1c(Cl)cccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide?
The InChIKey is BKQUVVPVIOTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O3S/c20-13-7-9-14(10-8-13)24-28(26,27)15-4-1-3-12(11-15)19(25)23-18-16(21)5-2-6-17(18)22/h1-11,24H,(H,23,25).
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide?
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide has a molecular weight of 455.75 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide is sourced from PubChem (CID 2308611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).