N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C17H13F2NO4S — CID 7941991

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)oc2ccccc12
InChIInChI=1S/C17H13F2NO4S/c1-10-13-4-2-3-5-14(13)24-15(10)16(21)20-11-6-8-12(9-7-11)25(22,23)17(18)19/h2-9,17H,1H3,(H,20,21)
InChIKeyIPYCGDPPOFFQTD-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.99
Rot. Bonds4

About N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7941991) has the molecular formula C17H13F2NO4S and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7941991
Molecular FormulaC17H13F2NO4S
Molecular Weight365.36 g/mol
Exact Mass365.05
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)oc2ccccc12
InChIInChI=1S/C17H13F2NO4S/c1-10-13-4-2-3-5-14(13)24-15(10)16(21)20-11-6-8-12(9-7-11)25(22,23)17(18)19/h2-9,17H,1H3,(H,20,21)
InChIKeyIPYCGDPPOFFQTD-UHFFFAOYSA-N
XLogP3.99
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 7941991) is N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)oc2ccccc12.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IPYCGDPPOFFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO4S/c1-10-13-4-2-3-5-14(13)24-15(10)16(21)20-11-6-8-12(9-7-11)25(22,23)17(18)19/h2-9,17H,1H3,(H,20,21).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.99, 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]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7941991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).