1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide

C7H10ClNO2S2 — CID 63666776

IUPAC1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)CCl
InChIInChI=1S/C7H10ClNO2S2/c1-9(13(10,11)6-8)5-7-3-2-4-12-7/h2-4H,5-6H2,1H3
InChIKeyOAQDCZJZLUGNEC-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.71
Rot. Bonds4

About 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide

1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide (PubChem CID 63666776) has the molecular formula C7H10ClNO2S2 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
PubChem CID63666776
Molecular FormulaC7H10ClNO2S2
Molecular Weight239.75 g/mol
Exact Mass238.98
IUPAC Name1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)CCl
InChIInChI=1S/C7H10ClNO2S2/c1-9(13(10,11)6-8)5-7-3-2-4-12-7/h2-4H,5-6H2,1H3
InChIKeyOAQDCZJZLUGNEC-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.71
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

2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43527299
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758
2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 61454199
4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
CID 116815238
4-(chloromethyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102704190
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
CID 63664720
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527306
4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527794

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide (CID 63666776) is 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide is CN(Cc1cccs1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The InChIKey is OAQDCZJZLUGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2S2/c1-9(13(10,11)6-8)5-7-3-2-4-12-7/h2-4H,5-6H2,1H3.
What are the key properties of 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide has a molecular weight of 239.75 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63666776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).