2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C16H18F2N2O3S2 — CID 16933157

IUPAC2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O3S2/c17-13-1-2-16(14(18)9-13)25(21,22)19-10-15(12-3-8-24-11-12)20-4-6-23-7-5-20/h1-3,8-9,11,15,19H,4-7,10H2
InChIKeySQULWEBCIVLYRI-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.38
Rot. Bonds6

About 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16933157) has the molecular formula C16H18F2N2O3S2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16933157
Molecular FormulaC16H18F2N2O3S2
Molecular Weight388.46 g/mol
Exact Mass388.07
IUPAC Name2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O3S2/c17-13-1-2-16(14(18)9-13)25(21,22)19-10-15(12-3-8-24-11-12)20-4-6-23-7-5-20/h1-3,8-9,11,15,19H,4-7,10H2
InChIKeySQULWEBCIVLYRI-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16933157) is 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccsc1)N1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is SQULWEBCIVLYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3S2/c17-13-1-2-16(14(18)9-13)25(21,22)19-10-15(12-3-8-24-11-12)20-4-6-23-7-5-20/h1-3,8-9,11,15,19H,4-7,10H2.
What are the key properties of 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 388.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16933157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).