N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide

C21H14F2N2O3S2 — CID 55379359

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc2ccccc2s1
InChIInChI=1S/C21H14F2N2O3S2/c22-17-10-9-16(12-18(17)23)30(27,28)25-15-7-5-14(6-8-15)24-21(26)20-11-13-3-1-2-4-19(13)29-20/h1-12,25H,(H,24,26)
InChIKeyHPRPZXCSJWJOTF-UHFFFAOYSA-N
MW444.48 g/mol
LogP5.23
Rot. Bonds5

About N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 55379359) has the molecular formula C21H14F2N2O3S2 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID55379359
Molecular FormulaC21H14F2N2O3S2
Molecular Weight444.48 g/mol
Exact Mass444.04
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc2ccccc2s1
InChIInChI=1S/C21H14F2N2O3S2/c22-17-10-9-16(12-18(17)23)30(27,28)25-15-7-5-14(6-8-15)24-21(26)20-11-13-3-1-2-4-19(13)29-20/h1-12,25H,(H,24,26)
InChIKeyHPRPZXCSJWJOTF-UHFFFAOYSA-N
XLogP5.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.48
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 27990410
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
CID 55376849
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
(2S)-2-[[4-[4-(1-benzothiophene-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 11341167
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-2-phenylpropanamide
CID 55527551

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide (CID 55379359) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HPRPZXCSJWJOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O3S2/c22-17-10-9-16(12-18(17)23)30(27,28)25-15-7-5-14(6-8-15)24-21(26)20-11-13-3-1-2-4-19(13)29-20/h1-12,25H,(H,24,26).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55379359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).