5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide

C22H20ClN3O5S — CID 27555838

IUPAC5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C22H20ClN3O5S/c1-2-31-18-11-9-17(10-12-18)26-32(29,30)20-14-16(8-13-19(20)23)22(28)25-24-21(27)15-6-4-3-5-7-15/h3-14,26H,2H2,1H3,(H,24,27)(H,25,28)
InChIKeyPNFFHJXXWQBFNV-UHFFFAOYSA-N
MW473.94 g/mol
LogP3.61
Rot. Bonds7

About 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide

5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 27555838) has the molecular formula C22H20ClN3O5S and a molecular weight of 473.94 g/mol. Its IUPAC name is 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID27555838
Molecular FormulaC22H20ClN3O5S
Molecular Weight473.94 g/mol
Exact Mass473.08
IUPAC Name5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C22H20ClN3O5S/c1-2-31-18-11-9-17(10-12-18)26-32(29,30)20-14-16(8-13-19(20)23)22(28)25-24-21(27)15-6-4-3-5-7-15/h3-14,26H,2H2,1H3,(H,24,27)(H,25,28)
InChIKeyPNFFHJXXWQBFNV-UHFFFAOYSA-N
XLogP3.61
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.61
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

2-chloro-5-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9480366
4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 30390620
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30161951
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932771
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30295727
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24539573
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353

Frequently Asked Questions

What is the IUPAC name of 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide (CID 27555838) is 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccccc3)ccc2Cl)cc1.
What is the InChIKey of 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is PNFFHJXXWQBFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5S/c1-2-31-18-11-9-17(10-12-18)26-32(29,30)20-14-16(8-13-19(20)23)22(28)25-24-21(27)15-6-4-3-5-7-15/h3-14,26H,2H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide?
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 473.94 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 27555838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).