5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C24H21ClF3N3O6S2 — CID 22495967

IUPAC5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H21ClF3N3O6S2/c25-16-5-10-21(30-38(33,34)22-4-2-1-3-20(22)24(26,27)28)19(15-16)23(32)29-17-6-8-18(9-7-17)39(35,36)31-11-13-37-14-12-31/h1-10,15,30H,11-14H2,(H,29,32)
InChIKeyUXXFBZBWAJTRFR-UHFFFAOYSA-N
MW604.03 g/mol
LogP4.43
Rot. Bonds7

About 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide

5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 22495967) has the molecular formula C24H21ClF3N3O6S2 and a molecular weight of 604.03 g/mol. Its IUPAC name is 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID22495967
Molecular FormulaC24H21ClF3N3O6S2
Molecular Weight604.03 g/mol
Exact Mass603.05
IUPAC Name5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H21ClF3N3O6S2/c25-16-5-10-21(30-38(33,34)22-4-2-1-3-20(22)24(26,27)28)19(15-16)23(32)29-17-6-8-18(9-7-17)39(35,36)31-11-13-37-14-12-31/h1-10,15,30H,11-14H2,(H,29,32)
InChIKeyUXXFBZBWAJTRFR-UHFFFAOYSA-N
XLogP4.43
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.03
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 22495926
2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 18328751
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide
CID 139521363
5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 22495963
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 22495967) is 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is UXXFBZBWAJTRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O6S2/c25-16-5-10-21(30-38(33,34)22-4-2-1-3-20(22)24(26,27)28)19(15-16)23(32)29-17-6-8-18(9-7-17)39(35,36)31-11-13-37-14-12-31/h1-10,15,30H,11-14H2,(H,29,32).
What are the key properties of 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 604.03 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 22495967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).