N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide

C11H12ClFN4O4S — CID 156717558

IUPACN-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CCCF)c2c([N+](=O)[O-])ccc(Cl)c12
InChIInChI=1S/C11H12ClFN4O4S/c1-22(20,21)15-11-9-7(12)3-4-8(17(18)19)10(9)16(14-11)6-2-5-13/h3-4H,2,5-6H2,1H3,(H,14,15)
InChIKeyVNZJGAQXGCNNPR-UHFFFAOYSA-N
MW350.76 g/mol
LogP2.33
Rot. Bonds6

About N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide

N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide (PubChem CID 156717558) has the molecular formula C11H12ClFN4O4S and a molecular weight of 350.76 g/mol. Its IUPAC name is N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide
PubChem CID156717558
Molecular FormulaC11H12ClFN4O4S
Molecular Weight350.76 g/mol
Exact Mass350.03
IUPAC NameN-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CCCF)c2c([N+](=O)[O-])ccc(Cl)c12
InChIInChI=1S/C11H12ClFN4O4S/c1-22(20,21)15-11-9-7(12)3-4-8(17(18)19)10(9)16(14-11)6-2-5-13/h3-4H,2,5-6H2,1H3,(H,14,15)
InChIKeyVNZJGAQXGCNNPR-UHFFFAOYSA-N
XLogP2.33
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]methanesulfonamide
CID 146451109
N-[4-chloro-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-yl]-N-methylsulfonylmethanesulfonamide
CID 146451122
N-[4-chloro-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide
CID 146451142
4-Chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine
CID 146451145
N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]cyclopropanesulfonamide
CID 146451147
N-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide
CID 146451157
4-Chloro-7-nitro-1-(2,2,2-trifluoroethyl)-1H-indazol-3-amine
CID 146451167
4-chloro-N-methyl-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-amine
CID 153545266
1-[4-chloro-1-(2,2-difluoroethyl)-7-nitroindazol-3-yl]-N-methylsulfonylmethanesulfonamide
CID 153545267
N-[4-chloro-7-nitro-1-(2,2,2-trifluoroethyl)indazol-3-yl]thiohydroxylamine
CID 153545280
4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)-7-nitroindazol-3-amine
CID 153545282
4-chloro-1-(2,2-difluoroethyl)-7-nitro-N,N-bis(sulfanyl)indazol-3-amine
CID 153545291

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide?
The IUPAC name of N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide (CID 156717558) is N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1nn(CCCF)c2c([N+](=O)[O-])ccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide?
The InChIKey is VNZJGAQXGCNNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O4S/c1-22(20,21)15-11-9-7(12)3-4-8(17(18)19)10(9)16(14-11)6-2-5-13/h3-4H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide?
N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide has a molecular weight of 350.76 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(3-fluoropropyl)-7-nitroindazol-3-yl]methanesulfonamide is sourced from PubChem (CID 156717558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).