N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

C22H22ClN3O5S2 — CID 4041023

IUPACN-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H22ClN3O5S2/c1-14-4-11-21(15(2)12-14)26-33(30,31)22-13-18(7-10-20(22)23)25-32(28,29)19-8-5-17(6-9-19)24-16(3)27/h4-13,25-26H,1-3H3,(H,24,27)
InChIKeyQOEYTWXCZJNAOX-UHFFFAOYSA-N
MW508.02 g/mol
LogP4.52
Rot. Bonds7

About N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 4041023) has the molecular formula C22H22ClN3O5S2 and a molecular weight of 508.02 g/mol. Its IUPAC name is N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID4041023
Molecular FormulaC22H22ClN3O5S2
Molecular Weight508.02 g/mol
Exact Mass507.07
IUPAC NameN-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H22ClN3O5S2/c1-14-4-11-21(15(2)12-14)26-33(30,31)22-13-18(7-10-20(22)23)25-32(28,29)19-8-5-17(6-9-19)24-16(3)27/h4-13,25-26H,1-3H3,(H,24,27)
InChIKeyQOEYTWXCZJNAOX-UHFFFAOYSA-N
XLogP4.52
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.02
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 167784239
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (CID 4041023) is N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1.
What is the InChIKey of N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is QOEYTWXCZJNAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S2/c1-14-4-11-21(15(2)12-14)26-33(30,31)22-13-18(7-10-20(22)23)25-32(28,29)19-8-5-17(6-9-19)24-16(3)27/h4-13,25-26H,1-3H3,(H,24,27).
What are the key properties of N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 508.02 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4041023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).