2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide

C16H18N4O4S2 — CID 167886311

IUPAC2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide
SMILESCn1nc2ccccc2c1S(=O)(=O)NCc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C16H18N4O4S2/c1-20-16(14-4-2-3-5-15(14)19-20)26(23,24)18-10-12-6-8-13(9-7-12)11-25(17,21)22/h2-9,18H,10-11H2,1H3,(H2,17,21,22)
InChIKeyZLSLONMWMUWAFG-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.84
Rot. Bonds6

About 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide

2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide (PubChem CID 167886311) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide
PubChem CID167886311
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC Name2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide
SMILESCn1nc2ccccc2c1S(=O)(=O)NCc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C16H18N4O4S2/c1-20-16(14-4-2-3-5-15(14)19-20)26(23,24)18-10-12-6-8-13(9-7-12)11-25(17,21)22/h2-9,18H,10-11H2,1H3,(H2,17,21,22)
InChIKeyZLSLONMWMUWAFG-UHFFFAOYSA-N
XLogP0.84
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide (CID 167886311) is 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide is Cn1nc2ccccc2c1S(=O)(=O)NCc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide?
The InChIKey is ZLSLONMWMUWAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-20-16(14-4-2-3-5-15(14)19-20)26(23,24)18-10-12-6-8-13(9-7-12)11-25(17,21)22/h2-9,18H,10-11H2,1H3,(H2,17,21,22).
What are the key properties of 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide?
2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide has a molecular weight of 394.48 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]indazole-3-sulfonamide is sourced from PubChem (CID 167886311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).