N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide

C18H22ClNO2S2 — CID 51356515

IUPACN-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
SMILESCCCSC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO2S2/c1-3-12-23-18(15-6-8-16(19)9-7-15)13-20-24(21,22)17-10-4-14(2)5-11-17/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyJWHMQSFOWVRVEJ-UHFFFAOYSA-N
MW383.97 g/mol
LogP4.81
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide (PubChem CID 51356515) has the molecular formula C18H22ClNO2S2 and a molecular weight of 383.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
PubChem CID51356515
Molecular FormulaC18H22ClNO2S2
Molecular Weight383.97 g/mol
Exact Mass383.08
IUPAC NameN-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
SMILESCCCSC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO2S2/c1-3-12-23-18(15-6-8-16(19)9-7-15)13-20-24(21,22)17-10-4-14(2)5-11-17/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyJWHMQSFOWVRVEJ-UHFFFAOYSA-N
XLogP4.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]butyl]-4-methylbenzenesulfonamide
CID 177474536
N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 51356051
N-[2-(4-tert-butylphenyl)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 163217185
N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 23649731
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide (CID 51356515) is N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide is CCCSC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide?
The InChIKey is JWHMQSFOWVRVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2S2/c1-3-12-23-18(15-6-8-16(19)9-7-15)13-20-24(21,22)17-10-4-14(2)5-11-17/h4-11,18,20H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide has a molecular weight of 383.97 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 51356515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).