N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide

C11H9N7O5S2 — CID 55979677

IUPACN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)s1
InChIInChI=1S/C11H9N7O5S2/c1-25(22,23)17-11-16-15-10(24-11)12-9(19)8-6-4-5(18(20)21)2-3-7(6)13-14-8/h2-4H,1H3,(H,13,14)(H,16,17)(H,12,15,19)
InChIKeyOMAHKIYNJFZFEE-UHFFFAOYSA-N
MW383.37 g/mol
LogP0.95
Rot. Bonds5

About N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide

N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide (PubChem CID 55979677) has the molecular formula C11H9N7O5S2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
PubChem CID55979677
Molecular FormulaC11H9N7O5S2
Molecular Weight383.37 g/mol
Exact Mass383.01
IUPAC NameN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)s1
InChIInChI=1S/C11H9N7O5S2/c1-25(22,23)17-11-16-15-10(24-11)12-9(19)8-6-4-5(18(20)21)2-3-7(6)13-14-8/h2-4H,1H3,(H,13,14)(H,16,17)(H,12,15,19)
InChIKeyOMAHKIYNJFZFEE-UHFFFAOYSA-N
XLogP0.95
TPSA172.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
CID 112821488
5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 60516598
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338
N-(3-chlorophenyl)-5-nitro-1H-indazole-3-carboxamide
CID 35374426
N-[4-methyl-2-(sulfamoylmethyl)phenyl]-5-nitro-1H-indazole-3-carboxamide
CID 90747946
(2R)-3-methyl-2-[(5-nitro-1H-indazole-3-carbonyl)amino]butanoic acid
CID 119368722
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
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
5-nitro-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]-1H-indazole-3-carboxamide
CID 78869403
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
CID 21241476

Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide (CID 55979677) is N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide is CS(=O)(=O)Nc1nnc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)s1.
What is the InChIKey of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is OMAHKIYNJFZFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O5S2/c1-25(22,23)17-11-16-15-10(24-11)12-9(19)8-6-4-5(18(20)21)2-3-7(6)13-14-8/h2-4H,1H3,(H,13,14)(H,16,17)(H,12,15,19).
What are the key properties of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide?
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 55979677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).