4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide

C14H20ClNO2S2 — CID 39657222

IUPAC4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCSC1CCCC1
InChIInChI=1S/C14H20ClNO2S2/c1-11-10-12(15)6-7-14(11)20(17,18)16-8-9-19-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9H2,1H3
InChIKeyPNIZAXVLXCEUDO-UHFFFAOYSA-N
MW333.91 g/mol
LogP3.60
Rot. Bonds6

About 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide

4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide (PubChem CID 39657222) has the molecular formula C14H20ClNO2S2 and a molecular weight of 333.91 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide
PubChem CID39657222
Molecular FormulaC14H20ClNO2S2
Molecular Weight333.91 g/mol
Exact Mass333.06
IUPAC Name4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCSC1CCCC1
InChIInChI=1S/C14H20ClNO2S2/c1-11-10-12(15)6-7-14(11)20(17,18)16-8-9-19-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9H2,1H3
InChIKeyPNIZAXVLXCEUDO-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.91
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide
CID 34270274
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide
CID 39624570
4-chloro-2-methyl-N-[2-(5-oxaspiro[3.4]octan-7-ylamino)ethyl]benzenesulfonamide
CID 136551931
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
4-chloro-N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 51080463
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide (CID 39657222) is 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCCSC1CCCC1.
What is the InChIKey of 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide?
The InChIKey is PNIZAXVLXCEUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S2/c1-11-10-12(15)6-7-14(11)20(17,18)16-8-9-19-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9H2,1H3.
What are the key properties of 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide?
4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide has a molecular weight of 333.91 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 39657222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).