2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide

C12H14N4O4S — CID 75522836

IUPAC2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide
SMILESO=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)CCC3CC3)c2c1
InChIInChI=1S/C12H14N4O4S/c17-16(18)9-3-4-11-10(7-9)12(14-13-11)15-21(19,20)6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H2,13,14,15)
InChIKeyADRLBNMJHQUDSH-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.01
Rot. Bonds6

About 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide

2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide (PubChem CID 75522836) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide
PubChem CID75522836
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC Name2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide
SMILESO=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)CCC3CC3)c2c1
InChIInChI=1S/C12H14N4O4S/c17-16(18)9-3-4-11-10(7-9)12(14-13-11)15-21(19,20)6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H2,13,14,15)
InChIKeyADRLBNMJHQUDSH-UHFFFAOYSA-N
XLogP2.01
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide
CID 142650220
N-benzyl-5-nitro-1H-indazol-3-amine
CID 22567151
N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
CID 119475210
1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
CID 107745957
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 119510662
4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide
CID 71907763
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 86946002
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 119539126
N-[(1S,2S,3R,4S)-3-carbamoyl-2-bicyclo[2.2.1]heptanyl]-5-nitro-1H-indazole-3-carboxamide
CID 100852100
5-nitro-3-propoxy-1H-indazole
CID 76846129

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide?
The IUPAC name of 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide (CID 75522836) is 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide?
The canonical SMILES for 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide is O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)CCC3CC3)c2c1.
What is the InChIKey of 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide?
The InChIKey is ADRLBNMJHQUDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c17-16(18)9-3-4-11-10(7-9)12(14-13-11)15-21(19,20)6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H2,13,14,15).
What are the key properties of 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide?
2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide has a molecular weight of 310.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(5-nitro-1H-indazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 75522836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).