N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide

C14H15F2NO2S2 — CID 166174702

IUPACN-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)s1
InChIInChI=1S/C14H15F2NO2S2/c1-14(2,3)17-21(18,19)13-7-6-12(20-13)10-5-4-9(15)8-11(10)16/h4-8,17H,1-3H3
InChIKeyUGRCDTZCSYGBRR-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.77
Rot. Bonds3

About N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide

N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide (PubChem CID 166174702) has the molecular formula C14H15F2NO2S2 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide
PubChem CID166174702
Molecular FormulaC14H15F2NO2S2
Molecular Weight331.41 g/mol
Exact Mass331.05
IUPAC NameN-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)s1
InChIInChI=1S/C14H15F2NO2S2/c1-14(2,3)17-21(18,19)13-7-6-12(20-13)10-5-4-9(15)8-11(10)16/h4-8,17H,1-3H3
InChIKeyUGRCDTZCSYGBRR-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)thiophene-2-sulfonamide
CID 765827
5-[[4-(Trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide
CID 132819874
5-Benzylsulfanylthiophene-2-sulfonamide
CID 134132835
5-[(4-Methylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819873
5-[(4-Fluorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819876
2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 711867
2-Thiophenesulfonamide,5-[(4-methylphenyl)sulfonyl]-
CID 12736884
5-Phenylthiophene-2-sulfonamide
CID 13425726
N-[2-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide
CID 3440930
2-Thiophenesulfonamide,5-[(2-methylphenyl)thio]-
CID 12736850
2-Thiophenesulfonamide,5-[(4-methylphenyl)thio]-
CID 12736851
2-Thiophenesulfonamide,5-[[3-(trifluoromethyl)phenyl]thio]-
CID 12736857

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide (CID 166174702) is N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)s1.
What is the InChIKey of N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide?
The InChIKey is UGRCDTZCSYGBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S2/c1-14(2,3)17-21(18,19)13-7-6-12(20-13)10-5-4-9(15)8-11(10)16/h4-8,17H,1-3H3.
What are the key properties of N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide?
N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide has a molecular weight of 331.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,4-difluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 166174702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).