N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide

C14H17FN2O2S2 — CID 167841193

IUPACN-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N)s1
InChIInChI=1S/C14H17FN2O2S2/c1-14(2,3)12-6-7-13(20-12)21(18,19)17-11-8-9(15)4-5-10(11)16/h4-8,17H,16H2,1-3H3
InChIKeyOSOULVQKISNWAT-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.57
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide

N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide (PubChem CID 167841193) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide
PubChem CID167841193
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N)s1
InChIInChI=1S/C14H17FN2O2S2/c1-14(2,3)12-6-7-13(20-12)21(18,19)17-11-8-9(15)4-5-10(11)16/h4-8,17H,16H2,1-3H3
InChIKeyOSOULVQKISNWAT-UHFFFAOYSA-N
XLogP3.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.57
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-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(2-amino-5-fluorophenyl)-5-tert-butyl-1H-imidazole-4-sulfonamide
CID 166372898
N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001
N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
CID 119975669
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 63257611
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide
CID 113092573
5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
5-(2-aminoethyl)-N-(2-bromo-5-fluorophenyl)thiophene-2-sulfonamide
CID 107626847

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide (CID 167841193) is N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N)s1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide?
The InChIKey is OSOULVQKISNWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-14(2,3)12-6-7-13(20-12)21(18,19)17-11-8-9(15)4-5-10(11)16/h4-8,17H,16H2,1-3H3.
What are the key properties of N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide?
N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 3.57, 3 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-tert-butylthiophene-2-sulfonamide is sourced from PubChem (CID 167841193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).