N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide

C14H13F2NO3S2 — CID 91817409

IUPACN-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide
SMILESCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H13F2NO3S2/c1-9(18)14-5-2-10(21-14)6-7-17-22(19,20)11-3-4-12(15)13(16)8-11/h2-5,8,17H,6-7H2,1H3
InChIKeyOZJXYZGBVQQHON-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide

N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide (PubChem CID 91817409) has the molecular formula C14H13F2NO3S2 and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide
PubChem CID91817409
Molecular FormulaC14H13F2NO3S2
Molecular Weight345.39 g/mol
Exact Mass345.03
IUPAC NameN-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide
SMILESCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H13F2NO3S2/c1-9(18)14-5-2-10(21-14)6-7-17-22(19,20)11-3-4-12(15)13(16)8-11/h2-5,8,17H,6-7H2,1H3
InChIKeyOZJXYZGBVQQHON-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106044406
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
CID 5100609
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86866305

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide (CID 91817409) is N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide is CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is OZJXYZGBVQQHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S2/c1-9(18)14-5-2-10(21-14)6-7-17-22(19,20)11-3-4-12(15)13(16)8-11/h2-5,8,17H,6-7H2,1H3.
What are the key properties of N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide?
N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 345.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetylthiophen-2-yl)ethyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 91817409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).