N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide

C17H15F2NO2S2 — CID 66906547

IUPACN-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
SMILESCc1c(N(Cc2ccc(F)c(F)c2)S(C)(=O)=O)sc2ccccc12
InChIInChI=1S/C17H15F2NO2S2/c1-11-13-5-3-4-6-16(13)23-17(11)20(24(2,21)22)10-12-7-8-14(18)15(19)9-12/h3-9H,10H2,1-2H3
InChIKeyKMTYFXUFAJVQHJ-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.45
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide

N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide (PubChem CID 66906547) has the molecular formula C17H15F2NO2S2 and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
PubChem CID66906547
Molecular FormulaC17H15F2NO2S2
Molecular Weight367.44 g/mol
Exact Mass367.05
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide
SMILESCc1c(N(Cc2ccc(F)c(F)c2)S(C)(=O)=O)sc2ccccc12
InChIInChI=1S/C17H15F2NO2S2/c1-11-13-5-3-4-6-16(13)23-17(11)20(24(2,21)22)10-12-7-8-14(18)15(19)9-12/h3-9H,10H2,1-2H3
InChIKeyKMTYFXUFAJVQHJ-UHFFFAOYSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide (CID 66906547) is N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide is Cc1c(N(Cc2ccc(F)c(F)c2)S(C)(=O)=O)sc2ccccc12.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
The InChIKey is KMTYFXUFAJVQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2S2/c1-11-13-5-3-4-6-16(13)23-17(11)20(24(2,21)22)10-12-7-8-14(18)15(19)9-12/h3-9H,10H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide?
N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide has a molecular weight of 367.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)methanesulfonamide is sourced from PubChem (CID 66906547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).