4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide

C14H12ClN3O4S — CID 155543548

IUPAC4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN3O4S/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(8-4-10)23(16,21)22/h1-8H,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyROPYUEWYRBFDOG-UHFFFAOYSA-N
MW353.79 g/mol
LogP1.06
Rot. Bonds3

About 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide

4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 155543548) has the molecular formula C14H12ClN3O4S and a molecular weight of 353.79 g/mol. Its IUPAC name is 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID155543548
Molecular FormulaC14H12ClN3O4S
Molecular Weight353.79 g/mol
Exact Mass353.02
IUPAC Name4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12ClN3O4S/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(8-4-10)23(16,21)22/h1-8H,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyROPYUEWYRBFDOG-UHFFFAOYSA-N
XLogP1.06
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide (CID 155543548) is 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is ROPYUEWYRBFDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4S/c15-11-5-1-9(2-6-11)13(19)17-18-14(20)10-3-7-12(8-4-10)23(16,21)22/h1-8H,(H,17,19)(H,18,20)(H2,16,21,22).
What are the key properties of 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide?
4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 353.79 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorobenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 155543548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).