N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide

C13H12FN3O2S2 — CID 133397387

IUPACN-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(NCCNS(=O)(=O)c2cccs2)c(F)c1
InChIInChI=1S/C13H12FN3O2S2/c14-11-8-10(9-15)3-4-12(11)16-5-6-17-21(18,19)13-2-1-7-20-13/h1-4,7-8,16-17H,5-6H2
InChIKeyDFTWSYQWVCNSOH-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide

N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide (PubChem CID 133397387) has the molecular formula C13H12FN3O2S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide
PubChem CID133397387
Molecular FormulaC13H12FN3O2S2
Molecular Weight325.39 g/mol
Exact Mass325.04
IUPAC NameN-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(NCCNS(=O)(=O)c2cccs2)c(F)c1
InChIInChI=1S/C13H12FN3O2S2/c14-11-8-10(9-15)3-4-12(11)16-5-6-17-21(18,19)13-2-1-7-20-13/h1-4,7-8,16-17H,5-6H2
InChIKeyDFTWSYQWVCNSOH-UHFFFAOYSA-N
XLogP2.15
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-cyano-4-fluoroanilino)ethyl]thiophene-2-sulfonamide
CID 133397458
4-fluoro-3-(thiophen-2-ylsulfonylmethyl)benzonitrile
CID 64692827
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064398
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
3-fluoro-4-(2-phenylsulfanylethylamino)benzonitrile
CID 54881115
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397399
N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133472879

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide (CID 133397387) is N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide is N#Cc1ccc(NCCNS(=O)(=O)c2cccs2)c(F)c1.
What is the InChIKey of N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide?
The InChIKey is DFTWSYQWVCNSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S2/c14-11-8-10(9-15)3-4-12(11)16-5-6-17-21(18,19)13-2-1-7-20-13/h1-4,7-8,16-17H,5-6H2.
What are the key properties of N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide?
N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-2-fluoroanilino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133397387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).