N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide

C15H17NO3S2 — CID 95379477

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1cccs1
InChIInChI=1S/C15H17NO3S2/c17-15(13-8-9-13,12-5-2-1-3-6-12)11-16-21(18,19)14-7-4-10-20-14/h1-7,10,13,16-17H,8-9,11H2/t15-/m1/s1
InChIKeyGUOQZCPGWTWVDK-OAHLLOKOSA-N
MW323.44 g/mol
LogP2.32
Rot. Bonds6

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide (PubChem CID 95379477) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide
PubChem CID95379477
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1cccs1
InChIInChI=1S/C15H17NO3S2/c17-15(13-8-9-13,12-5-2-1-3-6-12)11-16-21(18,19)14-7-4-10-20-14/h1-7,10,13,16-17H,8-9,11H2/t15-/m1/s1
InChIKeyGUOQZCPGWTWVDK-OAHLLOKOSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 71781999
5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-2-fluorobenzenesulfonamide
CID 71781748
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-4-fluorobenzenesulfonamide
CID 71781754
N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71781762
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
(S)-1,1,1-trifluoro-2-phenyl-3-(2-thienylsulfonylamino)-2-propanol
CID 95376529
(R)-1-cyclopropyl-2-(o-fluorophenylsulfonylamino)-1-(2-thienyl)-1-ethanol
CID 95982755
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide
CID 97071633
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide
CID 129416744
N-[(2S)-2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]-5-methylthiophene-2-sulfonamide
CID 129528029
N-[(2R)-2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 129565024

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide (CID 95379477) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide is O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1cccs1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is GUOQZCPGWTWVDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-15(13-8-9-13,12-5-2-1-3-6-12)11-16-21(18,19)14-7-4-10-20-14/h1-7,10,13,16-17H,8-9,11H2/t15-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 95379477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).