2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide

C9H14ClNO2S2 — CID 79494602

IUPAC2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)CCCl
InChIInChI=1S/C9H14ClNO2S2/c1-11(15(12,13)8-5-10)6-4-9-3-2-7-14-9/h2-3,7H,4-6,8H2,1H3
InChIKeyNHYYSYVOBSYZQK-UHFFFAOYSA-N
MW267.80 g/mol
LogP1.79
Rot. Bonds6

About 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide

2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide (PubChem CID 79494602) has the molecular formula C9H14ClNO2S2 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
PubChem CID79494602
Molecular FormulaC9H14ClNO2S2
Molecular Weight267.80 g/mol
Exact Mass267.02
IUPAC Name2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)CCCl
InChIInChI=1S/C9H14ClNO2S2/c1-11(15(12,13)8-5-10)6-4-9-3-2-7-14-9/h2-3,7H,4-6,8H2,1H3
InChIKeyNHYYSYVOBSYZQK-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
1-(2-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 110733491
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
CID 116815238
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide (CID 79494602) is 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide is CN(CCc1cccs1)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The InChIKey is NHYYSYVOBSYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2S2/c1-11(15(12,13)8-5-10)6-4-9-3-2-7-14-9/h2-3,7H,4-6,8H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide has a molecular weight of 267.80 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide is sourced from PubChem (CID 79494602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).