N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide

C9H13F2NO3S2 — CID 103836766

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)C(F)F)c(C)s1
InChIInChI=1S/C9H13F2NO3S2/c1-5-3-8(6(2)16-5)17(14,15)12-4-7(13)9(10)11/h3,7,9,12-13H,4H2,1-2H3
InChIKeyLVVAESUICDLLDB-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.27
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 103836766) has the molecular formula C9H13F2NO3S2 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID103836766
Molecular FormulaC9H13F2NO3S2
Molecular Weight285.34 g/mol
Exact Mass285.03
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)C(F)F)c(C)s1
InChIInChI=1S/C9H13F2NO3S2/c1-5-3-8(6(2)16-5)17(14,15)12-4-7(13)9(10)11/h3,7,9,12-13H,4H2,1-2H3
InChIKeyLVVAESUICDLLDB-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-2,5-dimethylthiophene-3-sulfonamide
CID 25503721
5-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 136531965
N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide
CID 164630165
5-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 63827100
5-(hydroxymethyl)-2-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65738791
5-(2-hydroxyethyl)-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65739174
5-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65741450
5-(hydroxymethyl)-2-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65744245
2,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-sulfonamide
CID 75387063
2,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]thiophene-3-sulfonamide
CID 78860555
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
CID 82715819
N-(2,2-difluoro-3-hydroxypropyl)-5-methylthiophene-2-sulfonamide
CID 86795005

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide (CID 103836766) is N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCC(O)C(F)F)c(C)s1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is LVVAESUICDLLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3S2/c1-5-3-8(6(2)16-5)17(14,15)12-4-7(13)9(10)11/h3,7,9,12-13H,4H2,1-2H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 285.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 103836766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).