N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide

C11H12BrF2N3O4S2 — CID 90385870

IUPACN-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide
SMILESCn1nc(N(S(C)(=O)=O)S(C)(=O)=O)c2c(C(F)F)ccc(Br)c21
InChIInChI=1S/C11H12BrF2N3O4S2/c1-16-9-7(12)5-4-6(10(13)14)8(9)11(15-16)17(22(2,18)19)23(3,20)21/h4-5,10H,1-3H3
InChIKeyBOZRWGKVLCFOBT-UHFFFAOYSA-N
MW432.27 g/mol
LogP2.00
Rot. Bonds4

About N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide

N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide (PubChem CID 90385870) has the molecular formula C11H12BrF2N3O4S2 and a molecular weight of 432.27 g/mol. Its IUPAC name is N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide
PubChem CID90385870
Molecular FormulaC11H12BrF2N3O4S2
Molecular Weight432.27 g/mol
Exact Mass430.94
IUPAC NameN-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide
SMILESCn1nc(N(S(C)(=O)=O)S(C)(=O)=O)c2c(C(F)F)ccc(Br)c21
InChIInChI=1S/C11H12BrF2N3O4S2/c1-16-9-7(12)5-4-6(10(13)14)8(9)11(15-16)17(22(2,18)19)23(3,20)21/h4-5,10H,1-3H3
InChIKeyBOZRWGKVLCFOBT-UHFFFAOYSA-N
XLogP2.00
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide (CID 90385870) is N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide is Cn1nc(N(S(C)(=O)=O)S(C)(=O)=O)c2c(C(F)F)ccc(Br)c21.
What is the InChIKey of N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is BOZRWGKVLCFOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N3O4S2/c1-16-9-7(12)5-4-6(10(13)14)8(9)11(15-16)17(22(2,18)19)23(3,20)21/h4-5,10H,1-3H3.
What are the key properties of N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide?
N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 432.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 90385870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).