2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide

C27H26N4O3S — CID 22980827

IUPAC2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide
SMILESCCc1cccc(-n2nc(C)cc2C(=O)N2CCc3cc(-c4ccccc4S(N)(=O)=O)ccc32)c1
InChIInChI=1S/C27H26N4O3S/c1-3-19-7-6-8-22(16-19)31-25(15-18(2)29-31)27(32)30-14-13-21-17-20(11-12-24(21)30)23-9-4-5-10-26(23)35(28,33)34/h4-12,15-17H,3,13-14H2,1-2H3,(H2,28,33,34)
InChIKeyIOHOFZDEKSUYGF-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.26
Rot. Bonds5

About 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide

2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide (PubChem CID 22980827) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide
PubChem CID22980827
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Name2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide
SMILESCCc1cccc(-n2nc(C)cc2C(=O)N2CCc3cc(-c4ccccc4S(N)(=O)=O)ccc32)c1
InChIInChI=1S/C27H26N4O3S/c1-3-19-7-6-8-22(16-19)31-25(15-18(2)29-31)27(32)30-14-13-21-17-20(11-12-24(21)30)23-9-4-5-10-26(23)35(28,33)34/h4-12,15-17H,3,13-14H2,1-2H3,(H2,28,33,34)
InChIKeyIOHOFZDEKSUYGF-UHFFFAOYSA-N
XLogP4.26
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[1-(3-ethylphenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide
CID 22980828
2-[1-[2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-3,4-dihydropyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide;[2-(3-ethylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]-[5-(2-methylsulfonylphenyl)-2,3-dihydroindol-1-yl]methanone
CID 91272142
2-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 10603555
2-[1-[[2-(3-ethanimidoylphenyl)-5-methylpyrazol-3-yl]methyl]-2,3-dihydroindol-5-yl]benzenesulfonamide
CID 22980825
3-[2-methyl-5-[5-(2-sulfamoylphenyl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-4-yl]benzenecarboximidamide
CID 22980849
N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10276414
1-[3-(aminomethyl)phenyl]-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 54425407
2-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 85372060
ethyl 5-methyl-2-[3-(phenylmethoxymethyl)phenyl]pyrazole-3-carboxylate
CID 134396871
5-methyl-2-[3-(methylsulfinimidoyl)phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10896308
2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366667
2-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]benzenesulfonamide
CID 11612812

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide (CID 22980827) is 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide is CCc1cccc(-n2nc(C)cc2C(=O)N2CCc3cc(-c4ccccc4S(N)(=O)=O)ccc32)c1.
What is the InChIKey of 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide?
The InChIKey is IOHOFZDEKSUYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-3-19-7-6-8-22(16-19)31-25(15-18(2)29-31)27(32)30-14-13-21-17-20(11-12-24(21)30)23-9-4-5-10-26(23)35(28,33)34/h4-12,15-17H,3,13-14H2,1-2H3,(H2,28,33,34).
What are the key properties of 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide?
2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide has a molecular weight of 486.60 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-ethylphenyl)-5-methylpyrazole-3-carbonyl]-2,3-dihydroindol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22980827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).