1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide

C14H16ClNO3S2 — CID 56764052

IUPAC1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-4-2-3-5-12(11)15/h2-7,13,16-17H,8-9H2,1H3
InChIKeyWGYZSFUPQOQVPA-UHFFFAOYSA-N
MW345.87 g/mol
LogP2.86
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide (PubChem CID 56764052) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
PubChem CID56764052
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-4-2-3-5-12(11)15/h2-7,13,16-17H,8-9H2,1H3
InChIKeyWGYZSFUPQOQVPA-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-hydroxy-2-phenylethyl)-3-thiophenesulfonamide
CID 2812772
3-chloro-4-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 52992633
4-fluoro-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-3-methylbenzenesulfonamide
CID 56764044
1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
2-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzenesulfonamide
CID 71782491
2-chloro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787852
2,4-dichloro-N-(2-hydroxy-2-(thiophen-2-yl)propyl)-5-methylbenzenesulfonamide
CID 71782485
4-fluoro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)-2-methylbenzenesulfonamide
CID 71787851
(S)-2-(5-chloro-2-thienylsulfonylamino)-1-(3-methyl-2-thienyl)-1-ethanol
CID 95367031
[(S)-2-(5-chloro-2-thienyl)-2-methoxyethyl][(2,5-difluorophenyl)methylsulfonyl]amine
CID 100729745
5-chloro-N-[(2S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
CID 66929955
5-chloro-N-[(1S,3S)-1-(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
CID 66929956

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide (CID 56764052) is 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide is Cc1ccsc1C(O)CNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The InChIKey is WGYZSFUPQOQVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-4-2-3-5-12(11)15/h2-7,13,16-17H,8-9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide has a molecular weight of 345.87 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 56764052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).