1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide

C14H16ClNO3S2 — CID 71804775

IUPAC1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C14H16ClNO3S2/c1-19-14(11-6-7-20-9-11)8-16-21(17,18)10-12-4-2-3-5-13(12)15/h2-7,9,14,16H,8,10H2,1H3
InChIKeyIKLJVEKEQPRZHU-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.21
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 71804775) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID71804775
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C14H16ClNO3S2/c1-19-14(11-6-7-20-9-11)8-16-21(17,18)10-12-4-2-3-5-13(12)15/h2-7,9,14,16H,8,10H2,1H3
InChIKeyIKLJVEKEQPRZHU-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-Difluorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804783
5-Chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 71810668
(4-fluoro-2-tolylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
CID 97414469
[(R)-2-methoxy-2-(3-thienyl)ethyl][m-(trifluoromethyl)phenylsulfonyl]amine
CID 97414489
[(S)-2-(5-chloro-2-thienyl)-2-methoxyethyl][(2,5-difluorophenyl)methylsulfonyl]amine
CID 100729745
1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 56764052
3-chloro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)-2-methylbenzenesulfonamide
CID 71787859
3-chloro-N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-methylbenzenesulfonamide
CID 86264138
N-(2-(5-chlorothiophen-2-yl)-2-methoxyethyl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 91631044
(S)-2-(3-chloro-2-tolylsulfonylamino)-1-(3-methyl-2-thienyl)-1-ethanol
CID 95367039
(S)-1-[(o-chlorophenyl)methylsulfonylamino]-2-(2-thienyl)-2-propanol
CID 95983488
[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl][(m-tolyl)methylsulfonyl]amine
CID 97417513

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide (CID 71804775) is 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide is COC(CNS(=O)(=O)Cc1ccccc1Cl)c1ccsc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is IKLJVEKEQPRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-19-14(11-6-7-20-9-11)8-16-21(17,18)10-12-4-2-3-5-13(12)15/h2-7,9,14,16H,8,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 345.87 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 71804775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).