N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide

C20H16F2N4O2S — CID 118721251

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4cc(F)ccc4F)cc3)ccc12
InChIInChI=1S/C20H16F2N4O2S/c21-15-4-8-18(22)14(9-15)11-29(27,28)26-16-5-1-12(2-6-16)13-3-7-17-19(10-13)24-25-20(17)23/h1-10,26H,11H2,(H3,23,24,25)
InChIKeyQNUFYOXCESWZGT-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.03
Rot. Bonds5

About N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide (PubChem CID 118721251) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide
PubChem CID118721251
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESNc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4cc(F)ccc4F)cc3)ccc12
InChIInChI=1S/C20H16F2N4O2S/c21-15-4-8-18(22)14(9-15)11-29(27,28)26-16-5-1-12(2-6-16)13-3-7-17-19(10-13)24-25-20(17)23/h1-10,26H,11H2,(H3,23,24,25)
InChIKeyQNUFYOXCESWZGT-UHFFFAOYSA-N
XLogP4.03
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide (CID 118721251) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide is Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4cc(F)ccc4F)cc3)ccc12.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The InChIKey is QNUFYOXCESWZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c21-15-4-8-18(22)14(9-15)11-29(27,28)26-16-5-1-12(2-6-16)13-3-7-17-19(10-13)24-25-20(17)23/h1-10,26H,11H2,(H3,23,24,25).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide has a molecular weight of 414.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-1-(2,5-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 118721251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).