N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide

C17H15Cl2NO3S — CID 1070709

IUPACN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H15Cl2NO3S/c1-11-3-7-13(8-4-11)16(21)20-17(15(18)19)24(22,23)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,20,21)
InChIKeyMVLMQXKBXQKTRT-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.11
Rot. Bonds4

About N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide

N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide (PubChem CID 1070709) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide
PubChem CID1070709
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC NameN-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H15Cl2NO3S/c1-11-3-7-13(8-4-11)16(21)20-17(15(18)19)24(22,23)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,20,21)
InChIKeyMVLMQXKBXQKTRT-UHFFFAOYSA-N
XLogP4.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Phenylsulfonylmethyl)benzamide
CID 786537
N-{[(4-methylphenyl)sulfonyl]methyl}benzamide
CID 764751
N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide
CID 2134372
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide
CID 1097565
Benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)sulfonyl]ethenyl]-
CID 1380035
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide
CID 4088432
N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-methylbenzamide
CID 4330749
N-(2-(4-Chloro-phenylsulfanyl)-1-(toluene-4-sulfonyl)-vinyl)-benzamide
CID 1097571
4-methyl-N-(2,2,2-trichloro-1-tosylethyl)benzamide
CID 3092464
N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide
CID 3528862
4-Chloro-N-[2,2-dichloro-1-(4-chlorobenzenesulfonyl)ethenyl]benzamide
CID 5059926
(Z)-N-(2-phenyl-1-tosylvinyl)benzamide
CID 6341691

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide?
The IUPAC name of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide (CID 1070709) is N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide?
The canonical SMILES for N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide?
The InChIKey is MVLMQXKBXQKTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c1-11-3-7-13(8-4-11)16(21)20-17(15(18)19)24(22,23)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,20,21).
What are the key properties of N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide?
N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide has a molecular weight of 384.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-1-(4-methylphenyl)sulfonylethenyl]-4-methylbenzamide is sourced from PubChem (CID 1070709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).