N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide

C15H12N4O5S — CID 153324931

IUPACN-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide
SMILESCn1cc2cc(S(=O)(=O)NC(=O)c3ccccc3)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C15H12N4O5S/c1-18-9-11-7-12(8-13(19(21)22)14(11)16-18)25(23,24)17-15(20)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,20)
InChIKeyRJMTYTMBJJWKCO-UHFFFAOYSA-N
MW360.35 g/mol
LogP1.60
Rot. Bonds4

About N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide

N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide (PubChem CID 153324931) has the molecular formula C15H12N4O5S and a molecular weight of 360.35 g/mol. Its IUPAC name is N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide
PubChem CID153324931
Molecular FormulaC15H12N4O5S
Molecular Weight360.35 g/mol
Exact Mass360.05
IUPAC NameN-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide
SMILESCn1cc2cc(S(=O)(=O)NC(=O)c3ccccc3)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C15H12N4O5S/c1-18-9-11-7-12(8-13(19(21)22)14(11)16-18)25(23,24)17-15(20)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,20)
InChIKeyRJMTYTMBJJWKCO-UHFFFAOYSA-N
XLogP1.60
TPSA124.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methyl-4-nitropyrazol-3-yl)benzohydrazide
CID 3958331
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-[4-[[1-(dimethylamino)phosphinan-4-yl]methylamino]-3-nitrophenyl]sulfonylbenzamide
CID 175829771
N-[3-nitro-4-(oxan-3-ylmethylamino)phenyl]sulfonylbenzamide
CID 161173688
N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 118947290
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
N-[3-formyl-4-methoxy-5-(3-nitrophenyl)phenyl]sulfonylbenzamide
CID 86607722
N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide
CID 2294379
N-[3-(benzenesulfonylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 58874521
N-[3-nitro-4-[(3,4,5-trihydroxy-6,6-dimethyloxan-2-yl)methylamino]phenyl]sulfonylbenzamide
CID 175829830
N-[3-fluoro-4-[(4-fluoropiperidin-4-yl)methylamino]-5-nitrophenyl]sulfonylbenzamide
CID 156699801

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide?
The IUPAC name of N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide (CID 153324931) is N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide is Cn1cc2cc(S(=O)(=O)NC(=O)c3ccccc3)cc([N+](=O)[O-])c2n1.
What is the InChIKey of N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide?
The InChIKey is RJMTYTMBJJWKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5S/c1-18-9-11-7-12(8-13(19(21)22)14(11)16-18)25(23,24)17-15(20)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,20).
What are the key properties of N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide?
N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide has a molecular weight of 360.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide is sourced from PubChem (CID 153324931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).