2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide

C25H21ClF3N3O4S — CID 25019629

IUPAC2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1Cl
InChIInChI=1S/C25H21ClF3N3O4S/c26-22-10-14(5-6-21(22)24(30)34)15-7-17(25(27,28)29)11-19(9-15)37(35,36)32-18(13-33)8-16-12-31-23-4-2-1-3-20(16)23/h1-7,9-12,18,31-33H,8,13H2,(H2,30,34)/t18-/m1/s1
InChIKeyZFVCHTUIZDJRCR-GOSISDBHSA-N
MW551.97 g/mol
LogP4.49
Rot. Bonds8

About 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide

2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 25019629) has the molecular formula C25H21ClF3N3O4S and a molecular weight of 551.97 g/mol. Its IUPAC name is 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide
PubChem CID25019629
Molecular FormulaC25H21ClF3N3O4S
Molecular Weight551.97 g/mol
Exact Mass551.09
IUPAC Name2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1Cl
InChIInChI=1S/C25H21ClF3N3O4S/c26-22-10-14(5-6-21(22)24(30)34)15-7-17(25(27,28)29)11-19(9-15)37(35,36)32-18(13-33)8-16-12-31-23-4-2-1-3-20(16)23/h1-7,9-12,18,31-33H,8,13H2,(H2,30,34)/t18-/m1/s1
InChIKeyZFVCHTUIZDJRCR-GOSISDBHSA-N
XLogP4.49
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.97
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide
CID 69144153
7-(4-carbamoyl-3-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide
CID 24959837
5-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832137
5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide
CID 97325949
5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 71050406
(2S)-2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoic acid;2-phenylbenzamide
CID 22876307
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 166232780
2-chloro-4-[3-[[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]carbamoyl]-4-propoxyphenyl]benzamide
CID 58832065
5-(1,3-benzodioxol-5-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 25017844
4-[3-[[1-amino-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-4-(1,1-difluoroprop-2-enoxy)phenyl]-N-tert-butyl-2-chlorobenzamide
CID 162554170
5-[[(1R)-1-carboxylato-2-(1H-indol-3-yl)ethyl]sulfamoyl]-2-chlorobenzoate
CID 2473981
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(2-phenylphenyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 25017846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide (CID 25019629) is 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide is NC(=O)c1ccc(-c2cc(C(F)(F)F)cc(S(=O)(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZFVCHTUIZDJRCR-GOSISDBHSA-N. The full InChI is InChI=1S/C25H21ClF3N3O4S/c26-22-10-14(5-6-21(22)24(30)34)15-7-17(25(27,28)29)11-19(9-15)37(35,36)32-18(13-33)8-16-12-31-23-4-2-1-3-20(16)23/h1-7,9-12,18,31-33H,8,13H2,(H2,30,34)/t18-/m1/s1.
What are the key properties of 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide?
2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 551.97 g/mol, XLogP of 4.49, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 25019629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).