N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide

C14H14F3NO4S2 — CID 71787868

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO4S2/c15-14(16,17)22-10-3-5-11(6-4-10)24(20,21)18-8-7-12(19)13-2-1-9-23-13/h1-6,9,12,18-19H,7-8H2
InChIKeyCZMMIPRSUFBDEN-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.05
Rot. Bonds7

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71787868) has the molecular formula C14H14F3NO4S2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71787868
Molecular FormulaC14H14F3NO4S2
Molecular Weight381.40 g/mol
Exact Mass381.03
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO4S2/c15-14(16,17)22-10-3-5-11(6-4-10)24(20,21)18-8-7-12(19)13-2-1-9-23-13/h1-6,9,12,18-19H,7-8H2
InChIKeyCZMMIPRSUFBDEN-UHFFFAOYSA-N
XLogP3.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
CID 90524151
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
CID 90524149
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
N-[(3S)-5-hydroxy-3-phenylpentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99872886
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
CID 90524150
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41247052
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893402
N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 71787868) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CZMMIPRSUFBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4S2/c15-14(16,17)22-10-3-5-11(6-4-10)24(20,21)18-8-7-12(19)13-2-1-9-23-13/h1-6,9,12,18-19H,7-8H2.
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 381.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71787868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).