2-(4-chloro-3-sulfamoylbenzoyl)benzamide

C14H11ClN2O4S — CID 12850058

IUPAC2-(4-chloro-3-sulfamoylbenzoyl)benzamide
SMILESNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(17,20)21)13(18)9-3-1-2-4-10(9)14(16)19/h1-7H,(H2,16,19)(H2,17,20,21)
InChIKeyQMDAJMIPLVXIDQ-UHFFFAOYSA-N
MW338.77 g/mol
LogP1.32
Rot. Bonds4

About 2-(4-chloro-3-sulfamoylbenzoyl)benzamide

2-(4-chloro-3-sulfamoylbenzoyl)benzamide (PubChem CID 12850058) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-(4-chloro-3-sulfamoylbenzoyl)benzamide.

Molecular Properties

Compound Name2-(4-chloro-3-sulfamoylbenzoyl)benzamide
PubChem CID12850058
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name2-(4-chloro-3-sulfamoylbenzoyl)benzamide
SMILESNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(17,20)21)13(18)9-3-1-2-4-10(9)14(16)19/h1-7H,(H2,16,19)(H2,17,20,21)
InChIKeyQMDAJMIPLVXIDQ-UHFFFAOYSA-N
XLogP1.32
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-sulfobenzoyl)benzoic acid
CID 12850057
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
CID 21316638
4-chloro-N-(diaminomethylidene)-3-sulfamoylbenzamide;hydrochloride
CID 19096090
2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide
CID 21316646
2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide
CID 141249458
2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide
CID 58107485
2-chloro-5-[4-(3-phenylpropanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane
CID 162149031
5-(6-benzoyl-3-hydrazinyl-2-nitrobenzoyl)-2-chlorobenzenesulfonamide
CID 151366458
[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568827
2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide
CID 58107394

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-sulfamoylbenzoyl)benzamide?
The IUPAC name of 2-(4-chloro-3-sulfamoylbenzoyl)benzamide (CID 12850058) is 2-(4-chloro-3-sulfamoylbenzoyl)benzamide.
What is the SMILES notation for 2-(4-chloro-3-sulfamoylbenzoyl)benzamide?
The canonical SMILES for 2-(4-chloro-3-sulfamoylbenzoyl)benzamide is NC(=O)c1ccccc1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-chloro-3-sulfamoylbenzoyl)benzamide?
The InChIKey is QMDAJMIPLVXIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(17,20)21)13(18)9-3-1-2-4-10(9)14(16)19/h1-7H,(H2,16,19)(H2,17,20,21).
What are the key properties of 2-(4-chloro-3-sulfamoylbenzoyl)benzamide?
2-(4-chloro-3-sulfamoylbenzoyl)benzamide has a molecular weight of 338.77 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-sulfamoylbenzoyl)benzamide is sourced from PubChem (CID 12850058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).