N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide

C19H22N4O3S — CID 36771575

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc3cn[nH]c23)ccc1C
InChIInChI=1S/C19H22N4O3S/c1-4-23(5-2)27(25,26)17-11-15(10-9-13(17)3)21-19(24)16-8-6-7-14-12-20-22-18(14)16/h6-12H,4-5H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyBUXKRKKKJKALBL-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.15
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide (PubChem CID 36771575) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
PubChem CID36771575
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc3cn[nH]c23)ccc1C
InChIInChI=1S/C19H22N4O3S/c1-4-23(5-2)27(25,26)17-11-15(10-9-13(17)3)21-19(24)16-8-6-7-14-12-20-22-18(14)16/h6-12H,4-5H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyBUXKRKKKJKALBL-UHFFFAOYSA-N
XLogP3.15
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 29356996
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174
N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
CID 34163636
N-[2-(3-ethylanilino)-2-oxoethyl]-1H-indazole-7-carboxamide
CID 75418768

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide (CID 36771575) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc3cn[nH]c23)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide?
The InChIKey is BUXKRKKKJKALBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-4-23(5-2)27(25,26)17-11-15(10-9-13(17)3)21-19(24)16-8-6-7-14-12-20-22-18(14)16/h6-12H,4-5H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 36771575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).