N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

C21H17BrCl2N2O3S — CID 43891686

IUPACN-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H17BrCl2N2O3S/c1-14-6-8-18(9-7-14)30(28,29)26(17-11-15(23)10-16(24)12-17)13-21(27)25-20-5-3-2-4-19(20)22/h2-12H,13H2,1H3,(H,25,27)
InChIKeyGHAUTWBGMVKWTH-UHFFFAOYSA-N
MW528.26 g/mol
LogP5.90
Rot. Bonds6

About N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43891686) has the molecular formula C21H17BrCl2N2O3S and a molecular weight of 528.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43891686
Molecular FormulaC21H17BrCl2N2O3S
Molecular Weight528.26 g/mol
Exact Mass525.95
IUPAC NameN-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H17BrCl2N2O3S/c1-14-6-8-18(9-7-14)30(28,29)26(17-11-15(23)10-16(24)12-17)13-21(27)25-20-5-3-2-4-19(20)22/h2-12H,13H2,1H3,(H,25,27)
InChIKeyGHAUTWBGMVKWTH-UHFFFAOYSA-N
XLogP5.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.26
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
CID 51344434
methyl 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30172009
N-(2-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126149220
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894578
2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 126265123
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897139
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 43891666
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881444
N-(2-bromophenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1362950
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152377
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 126132339

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43891686) is N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is GHAUTWBGMVKWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2N2O3S/c1-14-6-8-18(9-7-14)30(28,29)26(17-11-15(23)10-16(24)12-17)13-21(27)25-20-5-3-2-4-19(20)22/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 528.26 g/mol, XLogP of 5.90, 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-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43891686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).