N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide

C10H14F3NO3S2 — CID 164630165

IUPACN,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)sc1C
InChIInChI=1S/C10H14F3NO3S2/c1-6-4-9(18-7(6)2)19(16,17)14(3)5-8(15)10(11,12)13/h4,8,15H,5H2,1-3H3/t8-/m0/s1
InChIKeyQWMQXXTWQIPQAY-QMMMGPOBSA-N
MW317.35 g/mol
LogP1.91
Rot. Bonds4

About N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide

N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide (PubChem CID 164630165) has the molecular formula C10H14F3NO3S2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide
PubChem CID164630165
Molecular FormulaC10H14F3NO3S2
Molecular Weight317.35 g/mol
Exact Mass317.04
IUPAC NameN,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)sc1C
InChIInChI=1S/C10H14F3NO3S2/c1-6-4-9(18-7(6)2)19(16,17)14(3)5-8(15)10(11,12)13/h4,8,15H,5H2,1-3H3/t8-/m0/s1
InChIKeyQWMQXXTWQIPQAY-QMMMGPOBSA-N
XLogP1.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide?
The IUPAC name of N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide (CID 164630165) is N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide?
The canonical SMILES for N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)sc1C.
What is the InChIKey of N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide?
The InChIKey is QWMQXXTWQIPQAY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14F3NO3S2/c1-6-4-9(18-7(6)2)19(16,17)14(3)5-8(15)10(11,12)13/h4,8,15H,5H2,1-3H3/t8-/m0/s1.
What are the key properties of N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide?
N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide has a molecular weight of 317.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 164630165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).