3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid

C13H17N3O4S — CID 67623824

IUPAC3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid
SMILESCn1nc2cccc(C(=O)O)c2c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H17N3O4S/c1-13(2,3)15-21(19,20)11-10-8(12(17)18)6-5-7-9(10)14-16(11)4/h5-7,15H,1-4H3,(H,17,18)
InChIKeyDFJXUDUWLUTLQQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.35
Rot. Bonds3

About 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid

3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid (PubChem CID 67623824) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid
PubChem CID67623824
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid
SMILESCn1nc2cccc(C(=O)O)c2c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H17N3O4S/c1-13(2,3)15-21(19,20)11-10-8(12(17)18)6-5-7-9(10)14-16(11)4/h5-7,15H,1-4H3,(H,17,18)
InChIKeyDFJXUDUWLUTLQQ-UHFFFAOYSA-N
XLogP1.35
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid
CID 70384497
2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224701
2-ethyl-3-methylindazole-4-carboxylic acid
CID 84721848
2-(tert-butylsulfamoyl)naphthalene-1,3-dicarboxylic acid
CID 11508577
5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805357
4-chloro-2-methylindazole-3-sulfonamide
CID 19083177
3-[2-(methanesulfonamido)-2-methylpropyl]benzotriazole-4-carboxylic acid
CID 115931991
5-[3-(tert-butylsulfamoyl)phenyl]-2-chlorobenzoic acid
CID 53229010
N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109064276
2-(fluorosulfamoyl)benzoic acid
CID 87516154
3-methyl-4-oxophthalazine-5-carboxylic acid
CID 12955517
2-(3-bromo-2-methylindazol-4-yl)acetic acid
CID 84729978

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid?
The IUPAC name of 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid (CID 67623824) is 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid?
The canonical SMILES for 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid is Cn1nc2cccc(C(=O)O)c2c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid?
The InChIKey is DFJXUDUWLUTLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-13(2,3)15-21(19,20)11-10-8(12(17)18)6-5-7-9(10)14-16(11)4/h5-7,15H,1-4H3,(H,17,18).
What are the key properties of 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid?
3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid is sourced from PubChem (CID 67623824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).