N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide

C21H19BrN2O3S — CID 51345310

IUPACN-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O3S/c1-16-11-13-18(14-12-16)28(26,27)24(17-7-3-2-4-8-17)15-21(25)23-20-10-6-5-9-19(20)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyNXJPQBXZAGICDT-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.59
Rot. Bonds6

About N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 51345310) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID51345310
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC NameN-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O3S/c1-16-11-13-18(14-12-16)28(26,27)24(17-7-3-2-4-8-17)15-21(25)23-20-10-6-5-9-19(20)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyNXJPQBXZAGICDT-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891686
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 126278937
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
CID 26565833
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344158
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167
N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1362950
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1118149
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 3966474
N-(2-bromophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1319136

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide (CID 51345310) is N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2ccccc2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is NXJPQBXZAGICDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-16-11-13-18(14-12-16)28(26,27)24(17-7-3-2-4-8-17)15-21(25)23-20-10-6-5-9-19(20)22/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 459.37 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 51345310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).