2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide

C26H21ClFN3O6S2 — CID 2332788

IUPAC2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cc1
InChIInChI=1S/C26H21ClFN3O6S2/c1-37-25-5-3-2-4-24(25)31-38(33,34)20-12-10-18(11-13-20)29-26(32)22-16-21(14-15-23(22)27)39(35,36)30-19-8-6-17(28)7-9-19/h2-16,30-31H,1H3,(H,29,32)
InChIKeyDFTPXYFOTOZCNI-UHFFFAOYSA-N
MW590.05 g/mol
LogP5.34
Rot. Bonds9

About 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide

2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 2332788) has the molecular formula C26H21ClFN3O6S2 and a molecular weight of 590.05 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID2332788
Molecular FormulaC26H21ClFN3O6S2
Molecular Weight590.05 g/mol
Exact Mass589.05
IUPAC Name2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cc1
InChIInChI=1S/C26H21ClFN3O6S2/c1-37-25-5-3-2-4-24(25)31-38(33,34)20-12-10-18(11-13-20)29-26(32)22-16-21(14-15-23(22)27)39(35,36)30-19-8-6-17(28)7-9-19/h2-16,30-31H,1H3,(H,29,32)
InChIKeyDFTPXYFOTOZCNI-UHFFFAOYSA-N
XLogP5.34
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.05
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 30910349
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882654
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide
CID 3326698
N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2553216
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 2332788) is 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is DFTPXYFOTOZCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O6S2/c1-37-25-5-3-2-4-24(25)31-38(33,34)20-12-10-18(11-13-20)29-26(32)22-16-21(14-15-23(22)27)39(35,36)30-19-8-6-17(28)7-9-19/h2-16,30-31H,1H3,(H,29,32).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 590.05 g/mol, XLogP of 5.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2332788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).