2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide

C26H21ClN2O4S — CID 2210288

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide
SMILESCN(c1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H21ClN2O4S/c1-29(34(31,32)21-12-6-3-7-13-21)24-15-9-8-14-22(24)26(30)28-23-18-19(27)16-17-25(23)33-20-10-4-2-5-11-20/h2-18H,1H3,(H,28,30)
InChIKeyKEYFISNHCGOKBQ-UHFFFAOYSA-N
MW492.98 g/mol
LogP6.21
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide

2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide (PubChem CID 2210288) has the molecular formula C26H21ClN2O4S and a molecular weight of 492.98 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide
PubChem CID2210288
Molecular FormulaC26H21ClN2O4S
Molecular Weight492.98 g/mol
Exact Mass492.09
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide
SMILESCN(c1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H21ClN2O4S/c1-29(34(31,32)21-12-6-3-7-13-21)24-15-9-8-14-22(24)26(30)28-23-18-19(27)16-17-25(23)33-20-10-4-2-5-11-20/h2-18H,1H3,(H,28,30)
InChIKeyKEYFISNHCGOKBQ-UHFFFAOYSA-N
XLogP6.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.98
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide (CID 2210288) is 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide is CN(c1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide?
The InChIKey is KEYFISNHCGOKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O4S/c1-29(34(31,32)21-12-6-3-7-13-21)24-15-9-8-14-22(24)26(30)28-23-18-19(27)16-17-25(23)33-20-10-4-2-5-11-20/h2-18H,1H3,(H,28,30).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide?
2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide has a molecular weight of 492.98 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(5-chloro-2-phenoxyphenyl)benzamide is sourced from PubChem (CID 2210288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).