4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide

C14H12Cl2N2O3S — CID 60531609

IUPAC4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O3S/c1-8-6-10(15)3-5-13(8)22(20,21)18-12-7-9(14(17)19)2-4-11(12)16/h2-7,18H,1H3,(H2,17,19)
InChIKeyIPRLOFOZFZXJQX-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide

4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide (PubChem CID 60531609) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
PubChem CID60531609
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Name4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O3S/c1-8-6-10(15)3-5-13(8)22(20,21)18-12-7-9(14(17)19)2-4-11(12)16/h2-7,18H,1H3,(H2,17,19)
InChIKeyIPRLOFOZFZXJQX-UHFFFAOYSA-N
XLogP3.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 62999668
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzamide
CID 34973303
4-chloro-3-(sulfamoylamino)benzamide
CID 112573335
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236
4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000293
N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide
CID 2742129
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43605104

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide (CID 60531609) is 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide is Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide?
The InChIKey is IPRLOFOZFZXJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-8-6-10(15)3-5-13(8)22(20,21)18-12-7-9(14(17)19)2-4-11(12)16/h2-7,18H,1H3,(H2,17,19).
What are the key properties of 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide?
4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide has a molecular weight of 359.23 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 60531609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).