3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide

C26H30N4O2S — CID 3011212

IUPAC3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide
SMILESCCc1cccc(-c2cccc(S(=O)(=O)Nc3cc(NCC(C)C)c4n[nH]c(C)c4c3)c2)c1
InChIInChI=1S/C26H30N4O2S/c1-5-19-8-6-9-20(12-19)21-10-7-11-23(13-21)33(31,32)30-22-14-24-18(4)28-29-26(24)25(15-22)27-16-17(2)3/h6-15,17,27,30H,5,16H2,1-4H3,(H,28,29)
InChIKeyDLLSZNVPIJKFHC-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.97
Rot. Bonds8

About 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide

3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide (PubChem CID 3011212) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide
PubChem CID3011212
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC Name3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide
SMILESCCc1cccc(-c2cccc(S(=O)(=O)Nc3cc(NCC(C)C)c4n[nH]c(C)c4c3)c2)c1
InChIInChI=1S/C26H30N4O2S/c1-5-19-8-6-9-20(12-19)21-10-7-11-23(13-21)33(31,32)30-22-14-24-18(4)28-29-26(24)25(15-22)27-16-17(2)3/h6-15,17,27,30H,5,16H2,1-4H3,(H,28,29)
InChIKeyDLLSZNVPIJKFHC-UHFFFAOYSA-N
XLogP5.97
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide (CID 3011212) is 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide is CCc1cccc(-c2cccc(S(=O)(=O)Nc3cc(NCC(C)C)c4n[nH]c(C)c4c3)c2)c1.
What is the InChIKey of 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide?
The InChIKey is DLLSZNVPIJKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-5-19-8-6-9-20(12-19)21-10-7-11-23(13-21)33(31,32)30-22-14-24-18(4)28-29-26(24)25(15-22)27-16-17(2)3/h6-15,17,27,30H,5,16H2,1-4H3,(H,28,29).
What are the key properties of 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide?
3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide has a molecular weight of 462.62 g/mol, XLogP of 5.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 3011212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).