1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide

C14H16ClNO3S2 — CID 90496858

IUPAC1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-2-4-12(15)5-3-11/h2-7,13,16-17H,8-9H2,1H3
InChIKeyPAHCJSUOHQTYCV-UHFFFAOYSA-N
MW345.87 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide (PubChem CID 90496858) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
PubChem CID90496858
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-2-4-12(15)5-3-11/h2-7,13,16-17H,8-9H2,1H3
InChIKeyPAHCJSUOHQTYCV-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

1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 90496966
4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90496827
2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol
CID 105112926
1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 95982685
2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 71781699
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 95367046
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90496874
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95367034
2-[(4-chlorophenyl)methyl]-3-methylthiophene
CID 151166981
1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110738887
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide (CID 90496858) is 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide is Cc1ccsc1C(O)CNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The InChIKey is PAHCJSUOHQTYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-2-4-12(15)5-3-11/h2-7,13,16-17H,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
1-(4-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-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90496858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).