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

C16H11F2NO3S2 — CID 27990410

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C16H11F2NO3S2/c17-16(18)24(21,22)12-7-5-11(6-8-12)19-15(20)14-9-10-3-1-2-4-13(10)23-14/h1-9,16H,(H,19,20)
InChIKeyRVEKTJIAHDLUTN-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.15
Rot. Bonds4

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

N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 27990410) has the molecular formula C16H11F2NO3S2 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID27990410
Molecular FormulaC16H11F2NO3S2
Molecular Weight367.40 g/mol
Exact Mass367.01
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C16H11F2NO3S2/c17-16(18)24(21,22)12-7-5-11(6-8-12)19-15(20)14-9-10-3-1-2-4-13(10)23-14/h1-9,16H,(H,19,20)
InChIKeyRVEKTJIAHDLUTN-UHFFFAOYSA-N
XLogP4.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55379359
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
(2S)-2-[[4-[4-(1-benzothiophene-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 11341167
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 8503434
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-1-benzothiophene-2-carboxamide
CID 89237200
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide (CID 27990410) is N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is RVEKTJIAHDLUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3S2/c17-16(18)24(21,22)12-7-5-11(6-8-12)19-15(20)14-9-10-3-1-2-4-13(10)23-14/h1-9,16H,(H,19,20).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27990410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).