N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide

C19H22N4O3S — CID 9269012

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N4O3S/c1-3-23(4-2)27(25,26)15-11-9-14(10-12-15)13-20-19(24)18-16-7-5-6-8-17(16)21-22-18/h5-12H,3-4,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyPKNKADGVHZYLCZ-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.52
Rot. Bonds7

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 9269012) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
PubChem CID9269012
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N4O3S/c1-3-23(4-2)27(25,26)15-11-9-14(10-12-15)13-20-19(24)18-16-7-5-6-8-17(16)21-22-18/h5-12H,3-4,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyPKNKADGVHZYLCZ-UHFFFAOYSA-N
XLogP2.52
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 51312748
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24549162
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756401
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide (CID 9269012) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is PKNKADGVHZYLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-23(4-2)27(25,26)15-11-9-14(10-12-15)13-20-19(24)18-16-7-5-6-8-17(16)21-22-18/h5-12H,3-4,13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 9269012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).