2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide

C24H22F3N5O3S — CID 123333821

IUPAC2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)C(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H22F3N5O3S/c1-32(2)22(17-8-3-4-9-19(17)24(25,26)27)23(33)29-15-10-11-20-18(13-15)21(31-30-20)14-6-5-7-16(12-14)36(28,34)35/h3-13,22H,1-2H3,(H,29,33)(H,30,31)(H2,28,34,35)
InChIKeyKGYVZJLKEGYRPK-UHFFFAOYSA-N
MW517.53 g/mol
LogP4.14
Rot. Bonds6

About 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide

2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 123333821) has the molecular formula C24H22F3N5O3S and a molecular weight of 517.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID123333821
Molecular FormulaC24H22F3N5O3S
Molecular Weight517.53 g/mol
Exact Mass517.14
IUPAC Name2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)C(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H22F3N5O3S/c1-32(2)22(17-8-3-4-9-19(17)24(25,26)27)23(33)29-15-10-11-20-18(13-15)21(31-30-20)14-6-5-7-16(12-14)36(28,34)35/h3-13,22H,1-2H3,(H,29,33)(H,30,31)(H2,28,34,35)
InChIKeyKGYVZJLKEGYRPK-UHFFFAOYSA-N
XLogP4.14
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.53
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310
1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
CID 53476641
(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide
CID 67455130
[2-methyl-1-[[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]carbamoyl]-3H-isoindol-1-yl] 2,2,2-trifluoroacetate
CID 123547932
1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide
CID 67455298
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
1-(dimethylamino)-1-[2-(trifluoromethyl)phenyl]propan-2-one
CID 67726299
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
CID 142270961
N-[5-[[3-(3-fluorophenyl)-1H-indazol-5-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 22260627

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 123333821) is 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is CN(C)C(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KGYVZJLKEGYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3S/c1-32(2)22(17-8-3-4-9-19(17)24(25,26)27)23(33)29-15-10-11-20-18(13-15)21(31-30-20)14-6-5-7-16(12-14)36(28,34)35/h3-13,22H,1-2H3,(H,29,33)(H,30,31)(H2,28,34,35).
What are the key properties of 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide?
2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 517.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 123333821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).