(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide

C18H20ClNO2S — CID 8801139

IUPAC(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H20ClNO2S/c1-14-4-7-17(15(2)12-14)13-20(3)23(21,22)11-10-16-5-8-18(19)9-6-16/h4-12H,13H2,1-3H3/b11-10+
InChIKeyTUUSPYAQSINGGQ-ZHACJKMWSA-N
MW349.88 g/mol
LogP4.39
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide (PubChem CID 8801139) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide
PubChem CID8801139
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H20ClNO2S/c1-14-4-7-17(15(2)12-14)13-20(3)23(21,22)11-10-16-5-8-18(19)9-6-16/h4-12H,13H2,1-3H3/b11-10+
InChIKeyTUUSPYAQSINGGQ-ZHACJKMWSA-N
XLogP4.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide
CID 8778167
(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
CID 113285734
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7604075
2-(4-chlorophenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethenesulfonamide
CID 77045943
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
CID 14929190
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide
CID 61040966
(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
CID 51169798
(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 30328284
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 46458732
N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide
CID 100559271
N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 4885028
(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
CID 106630787

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide (CID 8801139) is (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide is Cc1ccc(CN(C)S(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide?
The InChIKey is TUUSPYAQSINGGQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-14-4-7-17(15(2)12-14)13-20(3)23(21,22)11-10-16-5-8-18(19)9-6-16/h4-12H,13H2,1-3H3/b11-10+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide has a molecular weight of 349.88 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide is sourced from PubChem (CID 8801139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).