N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide

C27H23BrClN3O5S2 — CID 43881752

IUPACN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H23BrClN3O5S2/c1-19-2-14-26(15-3-19)39(36,37)32(24-12-6-21(29)7-13-24)18-27(33)30-22-10-16-25(17-11-22)38(34,35)31-23-8-4-20(28)5-9-23/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyPELZZEIXZSQODP-UHFFFAOYSA-N
MW648.99 g/mol
LogP6.05
Rot. Bonds9

About N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43881752) has the molecular formula C27H23BrClN3O5S2 and a molecular weight of 648.99 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43881752
Molecular FormulaC27H23BrClN3O5S2
Molecular Weight648.99 g/mol
Exact Mass647.00
IUPAC NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H23BrClN3O5S2/c1-19-2-14-26(15-3-19)39(36,37)32(24-12-6-21(29)7-13-24)18-27(33)30-22-10-16-25(17-11-22)38(34,35)31-23-8-4-20(28)5-9-23/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyPELZZEIXZSQODP-UHFFFAOYSA-N
XLogP6.05
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.99
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880995
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881021
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881444
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882332
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881654
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 43891666
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
N-(4-bromophenyl)-2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172400
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880459
N-(3-bromophenyl)-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30171190

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43881752) is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is PELZZEIXZSQODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrClN3O5S2/c1-19-2-14-26(15-3-19)39(36,37)32(24-12-6-21(29)7-13-24)18-27(33)30-22-10-16-25(17-11-22)38(34,35)31-23-8-4-20(28)5-9-23/h2-17,31H,18H2,1H3,(H,30,33).
What are the key properties of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 648.99 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43881752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).