N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide

C19H21FN2O3S — CID 119106079

IUPACN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(c1cc2ccccc2o1)N(C)C
InChIInChI=1S/C19H21FN2O3S/c1-13-10-15(20)8-9-19(13)26(23,24)21-12-16(22(2)3)18-11-14-6-4-5-7-17(14)25-18/h4-11,16,21H,12H2,1-3H3
InChIKeySWQRWRLJSJSWHL-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide

N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 119106079) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID119106079
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(c1cc2ccccc2o1)N(C)C
InChIInChI=1S/C19H21FN2O3S/c1-13-10-15(20)8-9-19(13)26(23,24)21-12-16(22(2)3)18-11-14-6-4-5-7-17(14)25-18/h4-11,16,21H,12H2,1-3H3
InChIKeySWQRWRLJSJSWHL-UHFFFAOYSA-N
XLogP3.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide (CID 119106079) is N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(c1cc2ccccc2o1)N(C)C.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is SWQRWRLJSJSWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13-10-15(20)8-9-19(13)26(23,24)21-12-16(22(2)3)18-11-14-6-4-5-7-17(14)25-18/h4-11,16,21H,12H2,1-3H3.
What are the key properties of N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 119106079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).