N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide

C23H22BrNO6S — CID 19211300

IUPACN-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide
SMILESCOc1cc(C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(Br)c(OC)c1OC
InChIInChI=1S/C23H22BrNO6S/c1-15-10-12-16(13-11-15)25(32(27,28)17-8-6-5-7-9-17)23(26)18-14-19(29-2)21(30-3)22(31-4)20(18)24/h5-14H,1-4H3
InChIKeyVISZALNNEPZCIV-UHFFFAOYSA-N
MW520.40 g/mol
LogP4.82
Rot. Bonds7

About N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide

N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide (PubChem CID 19211300) has the molecular formula C23H22BrNO6S and a molecular weight of 520.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide
PubChem CID19211300
Molecular FormulaC23H22BrNO6S
Molecular Weight520.40 g/mol
Exact Mass519.04
IUPAC NameN-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide
SMILESCOc1cc(C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(Br)c(OC)c1OC
InChIInChI=1S/C23H22BrNO6S/c1-15-10-12-16(13-11-15)25(32(27,28)17-8-6-5-7-9-17)23(26)18-14-19(29-2)21(30-3)22(31-4)20(18)24/h5-14H,1-4H3
InChIKeyVISZALNNEPZCIV-UHFFFAOYSA-N
XLogP4.82
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
CID 19210740
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 19210850
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 19210874
N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
CID 19210199
N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
CID 19210204
N-(benzenesulfonyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19210790
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
(E)-N-(benzenesulfonyl)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 19219589

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide?
The IUPAC name of N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide (CID 19211300) is N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide is COc1cc(C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(Br)c(OC)c1OC.
What is the InChIKey of N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide?
The InChIKey is VISZALNNEPZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO6S/c1-15-10-12-16(13-11-15)25(32(27,28)17-8-6-5-7-9-17)23(26)18-14-19(29-2)21(30-3)22(31-4)20(18)24/h5-14H,1-4H3.
What are the key properties of N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide?
N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide has a molecular weight of 520.40 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-bromo-3,4,5-trimethoxy-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 19211300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).