N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide

C12H13FN2O2S2 — CID 55169551

IUPACN-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2N)s1
InChIInChI=1S/C12H13FN2O2S2/c1-2-9-4-6-12(18-9)19(16,17)15-11-7-8(13)3-5-10(11)14/h3-7,15H,2,14H2,1H3
InChIKeyRGHQJFUHIREAGP-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.83
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide

N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 55169551) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID55169551
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC NameN-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2N)s1
InChIInChI=1S/C12H13FN2O2S2/c1-2-9-4-6-12(18-9)19(16,17)15-11-7-8(13)3-5-10(11)14/h3-7,15H,2,14H2,1H3
InChIKeyRGHQJFUHIREAGP-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311
N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 104757226
N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide
CID 167841193
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-(2-aminoethyl)-N-(2-bromo-5-fluorophenyl)thiophene-2-sulfonamide
CID 107626847
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113050558
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236
5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107529035
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 64894286
N-(2-amino-4-bromo-6-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454204

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide (CID 55169551) is N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(F)ccc2N)s1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is RGHQJFUHIREAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c1-2-9-4-6-12(18-9)19(16,17)15-11-7-8(13)3-5-10(11)14/h3-7,15H,2,14H2,1H3.
What are the key properties of N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide?
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 55169551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).