2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide

C9H12F3NO3S2 — CID 97239246

IUPAC2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c(C)s1
InChIInChI=1S/C9H12F3NO3S2/c1-5-3-7(6(2)17-5)18(15,16)13-4-8(14)9(10,11)12/h3,8,13-14H,4H2,1-2H3/t8-/m1/s1
InChIKeyKBZNUKQGMWZNNI-MRVPVSSYSA-N
MW303.33 g/mol
LogP1.57
Rot. Bonds4

About 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide (PubChem CID 97239246) has the molecular formula C9H12F3NO3S2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
PubChem CID97239246
Molecular FormulaC9H12F3NO3S2
Molecular Weight303.33 g/mol
Exact Mass303.02
IUPAC Name2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c(C)s1
InChIInChI=1S/C9H12F3NO3S2/c1-5-3-7(6(2)17-5)18(15,16)13-4-8(14)9(10,11)12/h3,8,13-14H,4H2,1-2H3/t8-/m1/s1
InChIKeyKBZNUKQGMWZNNI-MRVPVSSYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64542146
N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 97067960
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82017296
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834064
2-methyl-5-nitro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834036
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 43501825
N-tert-butyl-2,5-dimethylthiophene-3-sulfonamide
CID 16640089
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902098
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682966
2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
CID 78878039

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide (CID 97239246) is 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide?
The InChIKey is KBZNUKQGMWZNNI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12F3NO3S2/c1-5-3-7(6(2)17-5)18(15,16)13-4-8(14)9(10,11)12/h3,8,13-14H,4H2,1-2H3/t8-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide has a molecular weight of 303.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide is sourced from PubChem (CID 97239246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).