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

C10H10BrF2N3O2S — CID 90376350

IUPACN-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide
SMILESCn1nc(NS(C)(=O)=O)c2c(C(F)F)ccc(Br)c21
InChIInChI=1S/C10H10BrF2N3O2S/c1-16-8-6(11)4-3-5(9(12)13)7(8)10(14-16)15-19(2,17)18/h3-4,9H,1-2H3,(H,14,15)
InChIKeySJXXKRVLZRLEIR-UHFFFAOYSA-N
MW354.18 g/mol
LogP2.64
Rot. Bonds3

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

N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide (PubChem CID 90376350) has the molecular formula C10H10BrF2N3O2S and a molecular weight of 354.18 g/mol. Its IUPAC name is N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide
PubChem CID90376350
Molecular FormulaC10H10BrF2N3O2S
Molecular Weight354.18 g/mol
Exact Mass352.96
IUPAC NameN-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide
SMILESCn1nc(NS(C)(=O)=O)c2c(C(F)F)ccc(Br)c21
InChIInChI=1S/C10H10BrF2N3O2S/c1-16-8-6(11)4-3-5(9(12)13)7(8)10(14-16)15-19(2,17)18/h3-4,9H,1-2H3,(H,14,15)
InChIKeySJXXKRVLZRLEIR-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 52.64
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-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide?
The IUPAC name of N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide (CID 90376350) is N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide is Cn1nc(NS(C)(=O)=O)c2c(C(F)F)ccc(Br)c21.
What is the InChIKey of N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide?
The InChIKey is SJXXKRVLZRLEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3O2S/c1-16-8-6(11)4-3-5(9(12)13)7(8)10(14-16)15-19(2,17)18/h3-4,9H,1-2H3,(H,14,15).
What are the key properties of N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide?
N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide has a molecular weight of 354.18 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bromo-4-(difluoromethyl)-1-methylindazol-3-yl]methanesulfonamide is sourced from PubChem (CID 90376350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).