3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide

C13H16Cl3NO2S — CID 63396941

IUPAC3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCC1
InChIInChI=1S/C13H16Cl3NO2S/c14-5-6-17(12-3-1-2-4-12)20(18,19)13-8-10(15)7-11(16)9-13/h7-9,12H,1-6H2
InChIKeyVTUITAQNDJLNHD-UHFFFAOYSA-N
MW356.70 g/mol
LogP4.17
Rot. Bonds5

About 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide

3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide (PubChem CID 63396941) has the molecular formula C13H16Cl3NO2S and a molecular weight of 356.70 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
PubChem CID63396941
Molecular FormulaC13H16Cl3NO2S
Molecular Weight356.70 g/mol
Exact Mass355.00
IUPAC Name3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCC1
InChIInChI=1S/C13H16Cl3NO2S/c14-5-6-17(12-3-1-2-4-12)20(18,19)13-8-10(15)7-11(16)9-13/h7-9,12H,1-6H2
InChIKeyVTUITAQNDJLNHD-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.70
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
CID 102873383
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 66215475
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
CID 102873627
4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
CID 102873427
3,5-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 27664683
N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 63397040
N-(2-chloroethyl)-N-cyclohexylmethanesulfonamide
CID 63396860
5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 64607444
4-chloro-N-(2-chloroethyl)-N-cyclobutyl-1-methylpyrazole-5-sulfonamide
CID 106316187
N-(2-chloroethyl)-N-cyclobutyl-2-methylbenzenesulfonamide
CID 102873632
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide (CID 63396941) is 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide is O=S(=O)(c1cc(Cl)cc(Cl)c1)N(CCCl)C1CCCC1.
What is the InChIKey of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide?
The InChIKey is VTUITAQNDJLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO2S/c14-5-6-17(12-3-1-2-4-12)20(18,19)13-8-10(15)7-11(16)9-13/h7-9,12H,1-6H2.
What are the key properties of 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide?
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide has a molecular weight of 356.70 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 63396941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).