N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide

C17H16N4O3S — CID 134037441

IUPACN-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C17H16N4O3S/c1-2-8-19-25(23,24)15-5-3-4-12(10-15)17(22)20-14-6-7-16-13(9-14)11-18-21-16/h2-7,9-11,19H,1,8H2,(H,18,21)(H,20,22)
InChIKeyAWJIUHMKVDMZKM-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.28
Rot. Bonds6

About N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide

N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 134037441) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID134037441
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C17H16N4O3S/c1-2-8-19-25(23,24)15-5-3-4-12(10-15)17(22)20-14-6-7-16-13(9-14)11-18-21-16/h2-7,9-11,19H,1,8H2,(H,18,21)(H,20,22)
InChIKeyAWJIUHMKVDMZKM-UHFFFAOYSA-N
XLogP2.28
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 71850107
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 110468858
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55814619
3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109062412

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide (CID 134037441) is N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is AWJIUHMKVDMZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-2-8-19-25(23,24)15-5-3-4-12(10-15)17(22)20-14-6-7-16-13(9-14)11-18-21-16/h2-7,9-11,19H,1,8H2,(H,18,21)(H,20,22).
What are the key properties of N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide?
N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 134037441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).