N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide

C14H14F3NO3S2 — CID 99981469

IUPACN-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC[C@@H](O)c1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3S2/c15-14(16,17)11-2-1-3-12(8-11)23(20,21)18-6-4-13(19)10-5-7-22-9-10/h1-3,5,7-9,13,18-19H,4,6H2/t13-/m1/s1
InChIKeyFNWRXKLORNKNII-CYBMUJFWSA-N
MW365.40 g/mol
LogP3.17
Rot. Bonds6

About N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 99981469) has the molecular formula C14H14F3NO3S2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID99981469
Molecular FormulaC14H14F3NO3S2
Molecular Weight365.40 g/mol
Exact Mass365.04
IUPAC NameN-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC[C@@H](O)c1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3S2/c15-14(16,17)11-2-1-3-12(8-11)23(20,21)18-6-4-13(19)10-5-7-22-9-10/h1-3,5,7-9,13,18-19H,4,6H2/t13-/m1/s1
InChIKeyFNWRXKLORNKNII-CYBMUJFWSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
CID 99981347
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 99981653
N-(3-bromobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 113271804
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 121132245
4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
CID 99981391
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62789605

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide (CID 99981469) is N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC[C@@H](O)c1ccsc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FNWRXKLORNKNII-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14F3NO3S2/c15-14(16,17)11-2-1-3-12(8-11)23(20,21)18-6-4-13(19)10-5-7-22-9-10/h1-3,5,7-9,13,18-19H,4,6H2/t13-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 99981469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).