N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide

C20H14F2N4O3S — CID 22567035

IUPACN-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc12)c1ccccc1
InChIInChI=1S/C20H14F2N4O3S/c21-13-8-14(22)10-16(9-13)30(28,29)26-15-6-7-18-17(11-15)19(25-24-18)23-20(27)12-4-2-1-3-5-12/h1-11,26H,(H2,23,24,25,27)
InChIKeyQADQJUPWUGQXEW-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.89
Rot. Bonds5

About N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide

N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide (PubChem CID 22567035) has the molecular formula C20H14F2N4O3S and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide
PubChem CID22567035
Molecular FormulaC20H14F2N4O3S
Molecular Weight428.42 g/mol
Exact Mass428.08
IUPAC NameN-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc12)c1ccccc1
InChIInChI=1S/C20H14F2N4O3S/c21-13-8-14(22)10-16(9-13)30(28,29)26-15-6-7-18-17(11-15)19(25-24-18)23-20(27)12-4-2-1-3-5-12/h1-11,26H,(H2,23,24,25,27)
InChIKeyQADQJUPWUGQXEW-UHFFFAOYSA-N
XLogP3.89
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide (CID 22567035) is N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide is O=C(Nc1n[nH]c2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc12)c1ccccc1.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide?
The InChIKey is QADQJUPWUGQXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3S/c21-13-8-14(22)10-16(9-13)30(28,29)26-15-6-7-18-17(11-15)19(25-24-18)23-20(27)12-4-2-1-3-5-12/h1-11,26H,(H2,23,24,25,27).
What are the key properties of N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide?
N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide has a molecular weight of 428.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 22567035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).