N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide

C14H16F2N2O2S2 — CID 40860728

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
SMILESCN(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)c1ccsc1
InChIInChI=1S/C14H16F2N2O2S2/c1-18(2)13(10-5-6-21-9-10)8-17-22(19,20)14-4-3-11(15)7-12(14)16/h3-7,9,13,17H,8H2,1-2H3/t13-/m0/s1
InChIKeyJIGZIJGZFMICGG-ZDUSSCGKSA-N
MW346.42 g/mol
LogP2.61
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide (PubChem CID 40860728) has the molecular formula C14H16F2N2O2S2 and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
PubChem CID40860728
Molecular FormulaC14H16F2N2O2S2
Molecular Weight346.42 g/mol
Exact Mass346.06
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
SMILESCN(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)c1ccsc1
InChIInChI=1S/C14H16F2N2O2S2/c1-18(2)13(10-5-6-21-9-10)8-17-22(19,20)14-4-3-11(15)7-12(14)16/h3-7,9,13,17H,8H2,1-2H3/t13-/m0/s1
InChIKeyJIGZIJGZFMICGG-ZDUSSCGKSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860733
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077
4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 47031514
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 16932771
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 40860865
N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 16932779
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-phenylbenzenesulfonamide
CID 16932794
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 40860290

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide (CID 40860728) is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide is CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)c1ccsc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is JIGZIJGZFMICGG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16F2N2O2S2/c1-18(2)13(10-5-6-21-9-10)8-17-22(19,20)14-4-3-11(15)7-12(14)16/h3-7,9,13,17H,8H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 346.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 40860728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).