N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide

C14H22ClNO2S2 — CID 63396348

IUPACN-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCl)C2CCCCC2)s1
InChIInChI=1S/C14H22ClNO2S2/c1-2-13-8-9-14(19-13)20(17,18)16(11-10-15)12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyFQWFAZNVVYJJDM-UHFFFAOYSA-N
MW335.92 g/mol
LogP3.87
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide

N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide (PubChem CID 63396348) has the molecular formula C14H22ClNO2S2 and a molecular weight of 335.92 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide
PubChem CID63396348
Molecular FormulaC14H22ClNO2S2
Molecular Weight335.92 g/mol
Exact Mass335.08
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCl)C2CCCCC2)s1
InChIInChI=1S/C14H22ClNO2S2/c1-2-13-8-9-14(19-13)20(17,18)16(11-10-15)12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyFQWFAZNVVYJJDM-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 53.87
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-(4-aminocyclohexyl)-N,5-diethylthiophene-2-sulfonamide
CID 79115688
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54998995
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79702302
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
CID 107173116
N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 55904602
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860
N-(2-chloroethyl)-N-cyclopropyl-5-ethylthiophene-2-carboxamide
CID 63394341
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
N-(2-chloroethyl)-N-cyclobutyl-2-methylbenzenesulfonamide
CID 102873632
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
CID 63396941

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide (CID 63396348) is N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(CCCl)C2CCCCC2)s1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide?
The InChIKey is FQWFAZNVVYJJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S2/c1-2-13-8-9-14(19-13)20(17,18)16(11-10-15)12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide?
N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide has a molecular weight of 335.92 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 63396348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).