N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide

C16H18ClNO2S2 — CID 100517948

IUPACN-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide
SMILESCCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H18ClNO2S2/c1-4-18(13-6-5-12(2)16(17)11-13)22(19,20)15-9-7-14(21-3)8-10-15/h5-11H,4H2,1-3H3
InChIKeyIGTHQOVYZJQXFY-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.59
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide

N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 100517948) has the molecular formula C16H18ClNO2S2 and a molecular weight of 355.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide
PubChem CID100517948
Molecular FormulaC16H18ClNO2S2
Molecular Weight355.91 g/mol
Exact Mass355.05
IUPAC NameN-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide
SMILESCCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H18ClNO2S2/c1-4-18(13-6-5-12(2)16(17)11-13)22(19,20)15-9-7-14(21-3)8-10-15/h5-11H,4H2,1-3H3
InChIKeyIGTHQOVYZJQXFY-UHFFFAOYSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517959
N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 100517507
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
N-ethyl-4-methylsulfanyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100518669
N-[4-(azepane-1-carbonyl)phenyl]-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 28591584
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172772
N-(5-chloro-2-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517814
N-ethyl-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 149210382
N-[(2S)-butan-2-yl]-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172785
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94864605
2-chloro-4-ethylsulfonyl-1-methylbenzene
CID 21187106
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide (CID 100517948) is N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide is CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is IGTHQOVYZJQXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S2/c1-4-18(13-6-5-12(2)16(17)11-13)22(19,20)15-9-7-14(21-3)8-10-15/h5-11H,4H2,1-3H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide?
N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 355.91 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-ethyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 100517948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).