N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide

C11H18FNO3S2 — CID 22500717

IUPACN-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide
SMILESCCC(CC)C(CO)NS(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C11H18FNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3
InChIKeyZHZDPQBRTHZQBL-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.96
Rot. Bonds7

About N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide

N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide (PubChem CID 22500717) has the molecular formula C11H18FNO3S2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide
PubChem CID22500717
Molecular FormulaC11H18FNO3S2
Molecular Weight295.40 g/mol
Exact Mass295.07
IUPAC NameN-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide
SMILESCCC(CC)C(CO)NS(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C11H18FNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3
InChIKeyZHZDPQBRTHZQBL-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 11303371
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758
5-bromo-N-[(2S,3R)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929812
N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 118863079
5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
CID 10110420
5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
CID 22500763
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 69464437
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260
5-bromo-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 11476060
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 10292550

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide?
The IUPAC name of N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide (CID 22500717) is N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide is CCC(CC)C(CO)NS(=O)(=O)c1ccc(F)s1.
What is the InChIKey of N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide?
The InChIKey is ZHZDPQBRTHZQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3.
What are the key properties of N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide?
N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide has a molecular weight of 295.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 22500717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).