N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C21H18BrClN2O4S — CID 126149220

IUPACN-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18BrClN2O4S/c1-29-17-9-11-18(12-10-17)30(27,28)25(16-6-4-5-15(23)13-16)14-21(26)24-20-8-3-2-7-19(20)22/h2-13H,14H2,1H3,(H,24,26)
InChIKeyLWUBRPVJKBCVES-UHFFFAOYSA-N
MW509.81 g/mol
LogP4.95
Rot. Bonds7

About N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 126149220) has the molecular formula C21H18BrClN2O4S and a molecular weight of 509.81 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID126149220
Molecular FormulaC21H18BrClN2O4S
Molecular Weight509.81 g/mol
Exact Mass507.99
IUPAC NameN-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18BrClN2O4S/c1-29-17-9-11-18(12-10-17)30(27,28)25(16-6-4-5-15(23)13-16)14-21(26)24-20-8-3-2-7-19(20)22/h2-13H,14H2,1H3,(H,24,26)
InChIKeyLWUBRPVJKBCVES-UHFFFAOYSA-N
XLogP4.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.81
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126121109
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 53280542
3-[[2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
CID 53280491
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126179354
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891686
N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1362950
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 126180592
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125629

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 126149220) is N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is LWUBRPVJKBCVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O4S/c1-29-17-9-11-18(12-10-17)30(27,28)25(16-6-4-5-15(23)13-16)14-21(26)24-20-8-3-2-7-19(20)22/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 509.81 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126149220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).