N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide

C21H18ClN3O4S — CID 24642847

IUPACN-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN3O4S/c1-14-5-2-3-8-19(14)21(27)24-23-20(26)15-6-4-7-18(13-15)30(28,29)25-17-11-9-16(22)10-12-17/h2-13,25H,1H3,(H,23,26)(H,24,27)
InChIKeyQDNASCGSSCKKNX-UHFFFAOYSA-N
MW443.91 g/mol
LogP3.52
Rot. Bonds5

About N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide

N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 24642847) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID24642847
Molecular FormulaC21H18ClN3O4S
Molecular Weight443.91 g/mol
Exact Mass443.07
IUPAC NameN-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN3O4S/c1-14-5-2-3-8-19(14)21(27)24-23-20(26)15-6-4-7-18(13-15)30(28,29)25-17-11-9-16(22)10-12-17/h2-13,25H,1H3,(H,23,26)(H,24,27)
InChIKeyQDNASCGSSCKKNX-UHFFFAOYSA-N
XLogP3.52
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.52
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

N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642831
3-[[1-(2-bromophenyl)ethenylamino]carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 2332257
N-(4-chlorophenyl)-3-[(cyclopropanecarbonylamino)carbamoyl]benzenesulfonamide
CID 24642864
N-(4-chlorophenyl)-3-[[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]carbamoyl]benzenesulfonamide
CID 25488156
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 27678550
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
CID 2308611
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
CID 70115356
N-(3-chlorophenyl)-3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27689934

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide (CID 24642847) is N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide is Cc1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is QDNASCGSSCKKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c1-14-5-2-3-8-19(14)21(27)24-23-20(26)15-6-4-7-18(13-15)30(28,29)25-17-11-9-16(22)10-12-17/h2-13,25H,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 443.91 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24642847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).