4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide

C11H18ClNO2S2 — CID 79494758

IUPAC4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)CCCCCl
InChIInChI=1S/C11H18ClNO2S2/c1-13(8-6-11-5-4-9-16-11)17(14,15)10-3-2-7-12/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyQSXYYQVLFMUXHF-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.57
Rot. Bonds8

About 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide

4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide (PubChem CID 79494758) has the molecular formula C11H18ClNO2S2 and a molecular weight of 295.86 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
PubChem CID79494758
Molecular FormulaC11H18ClNO2S2
Molecular Weight295.86 g/mol
Exact Mass295.05
IUPAC Name4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)CCCCCl
InChIInChI=1S/C11H18ClNO2S2/c1-13(8-6-11-5-4-9-16-11)17(14,15)10-3-2-7-12/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyQSXYYQVLFMUXHF-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
CID 116815238
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
2-(5-chloropentyl)thiophene
CID 4912993
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
4-thiophen-2-ylbutane-1-sulfonyl chloride
CID 98701224
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide (CID 79494758) is 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide is CN(CCc1cccs1)S(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide?
The InChIKey is QSXYYQVLFMUXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S2/c1-13(8-6-11-5-4-9-16-11)17(14,15)10-3-2-7-12/h4-5,9H,2-3,6-8,10H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide?
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide has a molecular weight of 295.86 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 79494758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).