3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide

C21H17Cl2N3O5S — CID 27678550

IUPAC3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(Cl)c3Cl)c2)cc1
InChIInChI=1S/C21H17Cl2N3O5S/c1-31-15-10-8-14(9-11-15)26-32(29,30)16-5-2-4-13(12-16)20(27)24-25-21(28)17-6-3-7-18(22)19(17)23/h2-12,26H,1H3,(H,24,27)(H,25,28)
InChIKeyVADXPSUCCYOESR-UHFFFAOYSA-N
MW494.36 g/mol
LogP3.88
Rot. Bonds6

About 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide

3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 27678550) has the molecular formula C21H17Cl2N3O5S and a molecular weight of 494.36 g/mol. Its IUPAC name is 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID27678550
Molecular FormulaC21H17Cl2N3O5S
Molecular Weight494.36 g/mol
Exact Mass493.03
IUPAC Name3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(Cl)c3Cl)c2)cc1
InChIInChI=1S/C21H17Cl2N3O5S/c1-31-15-10-8-14(9-11-15)26-32(29,30)16-5-2-4-13(12-16)20(27)24-25-21(28)17-6-3-7-18(22)19(17)23/h2-12,26H,1H3,(H,24,27)(H,25,28)
InChIKeyVADXPSUCCYOESR-UHFFFAOYSA-N
XLogP3.88
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]benzenesulfonamide
CID 46462711
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
3-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 43053559
N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 30828589
N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642847

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 27678550) is 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(Cl)c3Cl)c2)cc1.
What is the InChIKey of 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is VADXPSUCCYOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O5S/c1-31-15-10-8-14(9-11-15)26-32(29,30)16-5-2-4-13(12-16)20(27)24-25-21(28)17-6-3-7-18(22)19(17)23/h2-12,26H,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide?
3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 494.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 27678550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).