(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide

C23H21ClF3N3O5S2 — CID 126414588

IUPAC(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C23H21ClF3N3O5S2/c1-15(30(36(2,32)33)20-10-6-17(24)7-11-20)22(31)28-18-8-12-21(13-9-18)37(34,35)29-19-5-3-4-16(14-19)23(25,26)27/h3-15,29H,1-2H3,(H,28,31)/t15-/m1/s1
InChIKeyLRJCCNLARPJLEF-OAHLLOKOSA-N
MW576.02 g/mol
LogP4.95
Rot. Bonds8

About (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide (PubChem CID 126414588) has the molecular formula C23H21ClF3N3O5S2 and a molecular weight of 576.02 g/mol. Its IUPAC name is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
PubChem CID126414588
Molecular FormulaC23H21ClF3N3O5S2
Molecular Weight576.02 g/mol
Exact Mass575.06
IUPAC Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C23H21ClF3N3O5S2/c1-15(30(36(2,32)33)20-10-6-17(24)7-11-20)22(31)28-18-8-12-21(13-9-18)37(34,35)29-19-5-3-4-16(14-19)23(25,26)27/h3-15,29H,1-2H3,(H,28,31)/t15-/m1/s1
InChIKeyLRJCCNLARPJLEF-OAHLLOKOSA-N
XLogP4.95
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.02
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 124554196
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126415837
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 99950175
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 94864743
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 5175766
2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 3893347
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1095260
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3547100
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2235348
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide (CID 126414588) is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide is C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
The InChIKey is LRJCCNLARPJLEF-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21ClF3N3O5S2/c1-15(30(36(2,32)33)20-10-6-17(24)7-11-20)22(31)28-18-8-12-21(13-9-18)37(34,35)29-19-5-3-4-16(14-19)23(25,26)27/h3-15,29H,1-2H3,(H,28,31)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide?
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide has a molecular weight of 576.02 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126414588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).