N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide

C9H9BrFN3O2S — CID 90376560

IUPACN-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide
SMILESCn1nc(NS(C)(=O)=O)c2c(F)ccc(Br)c21
InChIInChI=1S/C9H9BrFN3O2S/c1-14-8-5(10)3-4-6(11)7(8)9(12-14)13-17(2,15)16/h3-4H,1-2H3,(H,12,13)
InChIKeyOJUAZJBMYHVDGD-UHFFFAOYSA-N
MW322.16 g/mol
LogP1.85
Rot. Bonds2

About N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide

N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide (PubChem CID 90376560) has the molecular formula C9H9BrFN3O2S and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide
PubChem CID90376560
Molecular FormulaC9H9BrFN3O2S
Molecular Weight322.16 g/mol
Exact Mass320.96
IUPAC NameN-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide
SMILESCn1nc(NS(C)(=O)=O)c2c(F)ccc(Br)c21
InChIInChI=1S/C9H9BrFN3O2S/c1-14-8-5(10)3-4-6(11)7(8)9(12-14)13-17(2,15)16/h3-4H,1-2H3,(H,12,13)
InChIKeyOJUAZJBMYHVDGD-UHFFFAOYSA-N
XLogP1.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide?
The IUPAC name of N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide (CID 90376560) is N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide is Cn1nc(NS(C)(=O)=O)c2c(F)ccc(Br)c21.
What is the InChIKey of N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide?
The InChIKey is OJUAZJBMYHVDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3O2S/c1-14-8-5(10)3-4-6(11)7(8)9(12-14)13-17(2,15)16/h3-4H,1-2H3,(H,12,13).
What are the key properties of N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide?
N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide has a molecular weight of 322.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-4-fluoro-1-methylindazol-3-yl)methanesulfonamide is sourced from PubChem (CID 90376560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).