4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide

C15H13Cl2N3O4S — CID 9442420

IUPAC4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13Cl2N3O4S/c1-18-25(23,24)11-6-7-13(17)12(8-11)15(22)20-19-14(21)9-2-4-10(16)5-3-9/h2-8,18H,1H3,(H,19,21)(H,20,22)
InChIKeyNARQQVURPMWSGE-UHFFFAOYSA-N
MW402.26 g/mol
LogP1.98
Rot. Bonds4

About 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide

4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide (PubChem CID 9442420) has the molecular formula C15H13Cl2N3O4S and a molecular weight of 402.26 g/mol. Its IUPAC name is 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
PubChem CID9442420
Molecular FormulaC15H13Cl2N3O4S
Molecular Weight402.26 g/mol
Exact Mass401.00
IUPAC Name4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13Cl2N3O4S/c1-18-25(23,24)11-6-7-13(17)12(8-11)15(22)20-19-14(21)9-2-4-10(16)5-3-9/h2-8,18H,1H3,(H,19,21)(H,20,22)
InChIKeyNARQQVURPMWSGE-UHFFFAOYSA-N
XLogP1.98
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24634435
N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide
CID 78773954
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
2,5-dichloro-N'-(4-phenylbenzoyl)benzohydrazide
CID 4789053
1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477944
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide
CID 56523646
4-chloro-N'-(4-chlorobenzoyl)-2-fluorobenzohydrazide
CID 9075928

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide (CID 9442420) is 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide?
The InChIKey is NARQQVURPMWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4S/c1-18-25(23,24)11-6-7-13(17)12(8-11)15(22)20-19-14(21)9-2-4-10(16)5-3-9/h2-8,18H,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide?
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide has a molecular weight of 402.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 9442420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).