4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide

C25H19ClN2O4S — CID 92672200

IUPAC4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C25H19ClN2O4S/c26-21-17-18(15-16-22(21)28-33(30,31)20-11-5-2-6-12-20)25(29)27-23-13-7-8-14-24(23)32-19-9-3-1-4-10-19/h1-17,28H,(H,27,29)
InChIKeyRMZGOWFHFNDNFG-UHFFFAOYSA-N
MW478.96 g/mol
LogP6.19
Rot. Bonds7

About 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide

4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide (PubChem CID 92672200) has the molecular formula C25H19ClN2O4S and a molecular weight of 478.96 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
PubChem CID92672200
Molecular FormulaC25H19ClN2O4S
Molecular Weight478.96 g/mol
Exact Mass478.08
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C25H19ClN2O4S/c26-21-17-18(15-16-22(21)28-33(30,31)20-11-5-2-6-12-20)25(29)27-23-13-7-8-14-24(23)32-19-9-3-1-4-10-19/h1-17,28H,(H,27,29)
InChIKeyRMZGOWFHFNDNFG-UHFFFAOYSA-N
XLogP6.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135
4-(benzenesulfonamido)-2-chloro-N-(2-phenoxyphenyl)benzamide
CID 99958448
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate
CID 92674919
3-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyphenyl)benzamide
CID 121042034
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 43915504
2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
CID 31475850
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
CID 2451069
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide (CID 92672200) is 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide?
The InChIKey is RMZGOWFHFNDNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O4S/c26-21-17-18(15-16-22(21)28-33(30,31)20-11-5-2-6-12-20)25(29)27-23-13-7-8-14-24(23)32-19-9-3-1-4-10-19/h1-17,28H,(H,27,29).
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide?
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide has a molecular weight of 478.96 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 92672200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).