N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide

C15H10Cl2F3N3O2S — CID 15278604

IUPACN-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1
InChIInChI=1S/C15H10Cl2F3N3O2S/c1-26(24,25)22-10-3-2-8-7-21-23(13(8)6-10)14-11(16)4-9(5-12(14)17)15(18,19)20/h2-7,22H,1H3
InChIKeyFDFQKEQSIKQSRI-UHFFFAOYSA-N
MW424.23 g/mol
LogP4.72
Rot. Bonds3

About N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide

N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide (PubChem CID 15278604) has the molecular formula C15H10Cl2F3N3O2S and a molecular weight of 424.23 g/mol. Its IUPAC name is N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide
PubChem CID15278604
Molecular FormulaC15H10Cl2F3N3O2S
Molecular Weight424.23 g/mol
Exact Mass422.98
IUPAC NameN-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1
InChIInChI=1S/C15H10Cl2F3N3O2S/c1-26(24,25)22-10-3-2-8-7-21-23(13(8)6-10)14-11(16)4-9(5-12(14)17)15(18,19)20/h2-7,22H,1H3
InChIKeyFDFQKEQSIKQSRI-UHFFFAOYSA-N
XLogP4.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide?
The IUPAC name of N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide (CID 15278604) is N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1.
What is the InChIKey of N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide?
The InChIKey is FDFQKEQSIKQSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N3O2S/c1-26(24,25)22-10-3-2-8-7-21-23(13(8)6-10)14-11(16)4-9(5-12(14)17)15(18,19)20/h2-7,22H,1H3.
What are the key properties of N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide?
N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide has a molecular weight of 424.23 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]methanesulfonamide is sourced from PubChem (CID 15278604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).