N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide

C9H14ClNO2S2 — CID 63397238

IUPACN-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
SMILESCCN(CCCl)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C9H14ClNO2S2/c1-3-11(7-6-10)15(12,13)9-5-4-8(2)14-9/h4-5H,3,6-7H2,1-2H3
InChIKeyQAAJCCJJLNSARJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.31
Rot. Bonds5

About N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide

N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide (PubChem CID 63397238) has the molecular formula C9H14ClNO2S2 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
PubChem CID63397238
Molecular FormulaC9H14ClNO2S2
Molecular Weight267.80 g/mol
Exact Mass267.02
IUPAC NameN-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
SMILESCCN(CCCl)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C9H14ClNO2S2/c1-3-11(7-6-10)15(12,13)9-5-4-8(2)14-9/h4-5H,3,6-7H2,1-2H3
InChIKeyQAAJCCJJLNSARJ-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.31
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

N-(cyanomethyl)-N-ethyl-5-methylthiophene-2-sulfonamide
CID 47813179
N-(2-hydroxyethyl)-5-methyl-N-propylthiophene-2-sulfonamide
CID 61424596
3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992517
N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide
CID 43459044
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446
N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 52506130
N-[2-(dimethylamino)ethyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 52506128
5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
CID 103100693
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
N-(2-aminoethyl)-5-methyl-N-propan-2-ylthiophene-2-sulfonamide
CID 28708007
3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide (CID 63397238) is N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide is CCN(CCCl)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide?
The InChIKey is QAAJCCJJLNSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2S2/c1-3-11(7-6-10)15(12,13)9-5-4-8(2)14-9/h4-5H,3,6-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide?
N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide has a molecular weight of 267.80 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 63397238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).