N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide

C16H15N5O5S — CID 90747946

IUPACN-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c(CS(N)(=O)=O)c1
InChIInChI=1S/C16H15N5O5S/c1-9-2-4-13(10(6-9)8-27(17,25)26)18-16(22)15-12-7-11(21(23)24)3-5-14(12)19-20-15/h2-7H,8H2,1H3,(H,18,22)(H,19,20)(H2,17,25,26)
InChIKeyWXKTZNHMCIYPGD-UHFFFAOYSA-N
MW389.39 g/mol
LogP1.82
Rot. Bonds5

About N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide

N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide (PubChem CID 90747946) has the molecular formula C16H15N5O5S and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide
PubChem CID90747946
Molecular FormulaC16H15N5O5S
Molecular Weight389.39 g/mol
Exact Mass389.08
IUPAC NameN-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c(CS(N)(=O)=O)c1
InChIInChI=1S/C16H15N5O5S/c1-9-2-4-13(10(6-9)8-27(17,25)26)18-16(22)15-12-7-11(21(23)24)3-5-14(12)19-20-15/h2-7H,8H2,1H3,(H,18,22)(H,19,20)(H2,17,25,26)
InChIKeyWXKTZNHMCIYPGD-UHFFFAOYSA-N
XLogP1.82
TPSA161.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
CID 55979677
N-[(2S)-1-aminopropan-2-yl]-5-nitro-1H-indazole-3-carboxamide;hydrochloride
CID 120504848
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 60516598
N-(3-chlorophenyl)-5-nitro-1H-indazole-3-carboxamide
CID 35374426
N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
CID 119475210
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
CID 112821488
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide
CID 35413572

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide (CID 90747946) is N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide is Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c(CS(N)(=O)=O)c1.
What is the InChIKey of N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is WXKTZNHMCIYPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5S/c1-9-2-4-13(10(6-9)8-27(17,25)26)18-16(22)15-12-7-11(21(23)24)3-5-14(12)19-20-15/h2-7H,8H2,1H3,(H,18,22)(H,19,20)(H2,17,25,26).
What are the key properties of N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide?
N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 90747946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).