6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide

C22H18FN5O4S — CID 173117556

IUPAC6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4cnn(C(N)=O)c4c3F)cc2)cc1
InChIInChI=1S/C22H18FN5O4S/c1-13(29)26-16-7-9-18(10-8-16)33(31,32)27-17-5-2-14(3-6-17)19-11-4-15-12-25-28(22(24)30)21(15)20(19)23/h2-12,27H,1H3,(H2,24,30)(H,26,29)
InChIKeyWAWNTCXSGMINTG-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.53
Rot. Bonds5

About 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide

6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide (PubChem CID 173117556) has the molecular formula C22H18FN5O4S and a molecular weight of 467.48 g/mol. Its IUPAC name is 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide
PubChem CID173117556
Molecular FormulaC22H18FN5O4S
Molecular Weight467.48 g/mol
Exact Mass467.11
IUPAC Name6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4cnn(C(N)=O)c4c3F)cc2)cc1
InChIInChI=1S/C22H18FN5O4S/c1-13(29)26-16-7-9-18(10-8-16)33(31,32)27-17-5-2-14(3-6-17)19-11-4-15-12-25-28(22(24)30)21(15)20(19)23/h2-12,27H,1H3,(H2,24,30)(H,26,29)
InChIKeyWAWNTCXSGMINTG-UHFFFAOYSA-N
XLogP3.53
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide?
The IUPAC name of 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide (CID 173117556) is 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide.
What is the SMILES notation for 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide?
The canonical SMILES for 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4cnn(C(N)=O)c4c3F)cc2)cc1.
What is the InChIKey of 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide?
The InChIKey is WAWNTCXSGMINTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O4S/c1-13(29)26-16-7-9-18(10-8-16)33(31,32)27-17-5-2-14(3-6-17)19-11-4-15-12-25-28(22(24)30)21(15)20(19)23/h2-12,27H,1H3,(H2,24,30)(H,26,29).
What are the key properties of 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide?
6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-7-fluoroindazole-1-carboxamide is sourced from PubChem (CID 173117556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).