3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide

C23H25N5O4S2 — CID 67454461

IUPAC3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C23H25N5O4S2/c1-3-15-7-5-8-16(4-2)22(15)28-34(31,32)27-18-11-12-21-20(14-18)23(26-25-21)17-9-6-10-19(13-17)33(24,29)30/h5-14,27-28H,3-4H2,1-2H3,(H,25,26)(H2,24,29,30)
InChIKeyKROAZOCVJWGDMN-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.77
Rot. Bonds8

About 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide

3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide (PubChem CID 67454461) has the molecular formula C23H25N5O4S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide
PubChem CID67454461
Molecular FormulaC23H25N5O4S2
Molecular Weight499.62 g/mol
Exact Mass499.13
IUPAC Name3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C23H25N5O4S2/c1-3-15-7-5-8-16(4-2)22(15)28-34(31,32)27-18-11-12-21-20(14-18)23(26-25-21)17-9-6-10-19(13-17)33(24,29)30/h5-14,27-28H,3-4H2,1-2H3,(H,25,26)(H2,24,29,30)
InChIKeyKROAZOCVJWGDMN-UHFFFAOYSA-N
XLogP3.77
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
CID 24963047
4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide
CID 137523337
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 53476532
1-phenyl-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
CID 67453293
2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67453714
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
CID 67456033
3-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]propanamide
CID 68229762
1-(2,6-diethylphenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
CID 68230798
MEK4 inhibitor-1
CID 155424828
N-(4-cyanophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164612308
N-cyclopropyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164613623
3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide
CID 164617830

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide (CID 67454461) is 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide is CCc1cccc(CC)c1NS(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1.
What is the InChIKey of 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide?
The InChIKey is KROAZOCVJWGDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S2/c1-3-15-7-5-8-16(4-2)22(15)28-34(31,32)27-18-11-12-21-20(14-18)23(26-25-21)17-9-6-10-19(13-17)33(24,29)30/h5-14,27-28H,3-4H2,1-2H3,(H,25,26)(H2,24,29,30).
What are the key properties of 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide?
3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide has a molecular weight of 499.62 g/mol, XLogP of 3.77, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,6-diethylphenyl)sulfamoylamino]-1H-indazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67454461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).