N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide

C21H15FN2O3S2 — CID 55911688

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C21H15FN2O3S2/c22-15-9-11-16(12-10-15)29(26,27)24-18-7-3-2-6-17(18)23-21(25)20-13-14-5-1-4-8-19(14)28-20/h1-13,24H,(H,23,25)
InChIKeyXHWXKQMZQYYUME-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.09
Rot. Bonds5

About N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 55911688) has the molecular formula C21H15FN2O3S2 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID55911688
Molecular FormulaC21H15FN2O3S2
Molecular Weight426.49 g/mol
Exact Mass426.05
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C21H15FN2O3S2/c22-15-9-11-16(12-10-15)29(26,27)24-18-7-3-2-6-17(18)23-21(25)20-13-14-5-1-4-8-19(14)28-20/h1-13,24H,(H,23,25)
InChIKeyXHWXKQMZQYYUME-UHFFFAOYSA-N
XLogP5.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55379359
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
2-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2,4-dicarboxamide
CID 154859234
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 142723853
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
N-[2-[(3-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 170943917
N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79954172
N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 27990410
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
N-[2-(chloromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 114298249
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide (CID 55911688) is N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is XHWXKQMZQYYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3S2/c22-15-9-11-16(12-10-15)29(26,27)24-18-7-3-2-6-17(18)23-21(25)20-13-14-5-1-4-8-19(14)28-20/h1-13,24H,(H,23,25).
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide?
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55911688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).