1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide

C14H16ClNO3S2 — CID 95983488

IUPAC1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H16ClNO3S2/c1-14(17,13-7-4-8-20-13)10-16-21(18,19)9-11-5-2-3-6-12(11)15/h2-8,16-17H,9-10H2,1H3/t14-/m0/s1
InChIKeyDIMVKNIMMRNAKN-AWEZNQCLSA-N
MW345.87 g/mol
LogP2.73
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide (PubChem CID 95983488) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
PubChem CID95983488
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H16ClNO3S2/c1-14(17,13-7-4-8-20-13)10-16-21(18,19)9-11-5-2-3-6-12(11)15/h2-8,16-17H,9-10H2,1H3/t14-/m0/s1
InChIKeyDIMVKNIMMRNAKN-AWEZNQCLSA-N
XLogP2.73
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 ≤ 52.73
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
5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 71781999
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
(S)-2-(5-chloro-2-thienylsulfonylamino)-1-(3-methyl-2-thienyl)-1-ethanol
CID 95367031
1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 56764052
5-chloro-N-[2-hydroxy-2-(thiophen-2-yl)propyl]thiophene-2-sulfonamide
CID 71782471
2,4-dichloro-N-(2-hydroxy-2-(thiophen-2-yl)propyl)-5-methylbenzenesulfonamide
CID 71782485
3-chloro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)-2-methylbenzenesulfonamide
CID 71787859
1-(2-Chlorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804775
3-chloro-N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-methylbenzenesulfonamide
CID 86264138
(S)-2-(3-chloro-2-tolylsulfonylamino)-1-(3-methyl-2-thienyl)-1-ethanol
CID 95367039

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide (CID 95983488) is 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide is C[C@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide?
The InChIKey is DIMVKNIMMRNAKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-14(17,13-7-4-8-20-13)10-16-21(18,19)9-11-5-2-3-6-12(11)15/h2-8,16-17H,9-10H2,1H3/t14-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide has a molecular weight of 345.87 g/mol, XLogP of 2.73, 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-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide is sourced from PubChem (CID 95983488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).