acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide

C21H17Cl3N2O5S — CID 90484937

IUPACacetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide
SMILESCC(=O)O.O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C19H13Cl3N2O3S.C2H4O2/c20-12-6-8-14(9-7-12)24-28(26,27)18-10-15(16(21)11-17(18)22)19(25)23-13-4-2-1-3-5-13;1-2(3)4/h1-11,24H,(H,23,25);1H3,(H,3,4)
InChIKeyAWWMCCNGVJVQAP-UHFFFAOYSA-N
MW515.80 g/mol
LogP5.79
Rot. Bonds5

About acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide

acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide (PubChem CID 90484937) has the molecular formula C21H17Cl3N2O5S and a molecular weight of 515.80 g/mol. Its IUPAC name is acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Nameacetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide
PubChem CID90484937
Molecular FormulaC21H17Cl3N2O5S
Molecular Weight515.80 g/mol
Exact Mass513.99
IUPAC Nameacetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide
SMILESCC(=O)O.O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C19H13Cl3N2O3S.C2H4O2/c20-12-6-8-14(9-7-12)24-28(26,27)18-10-15(16(21)11-17(18)22)19(25)23-13-4-2-1-3-5-13;1-2(3)4/h1-11,24H,(H,23,25);1H3,(H,3,4)
InChIKeyAWWMCCNGVJVQAP-UHFFFAOYSA-N
XLogP5.79
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.80
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide
CID 2996026
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
2,4-dichloro-5-[(2-hydroxyphenyl)-methylsulfamoyl]-N-phenylbenzamide
CID 26435626
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide?
The IUPAC name of acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide (CID 90484937) is acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide?
The canonical SMILES for acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide is CC(=O)O.O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl.
What is the InChIKey of acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide?
The InChIKey is AWWMCCNGVJVQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O3S.C2H4O2/c20-12-6-8-14(9-7-12)24-28(26,27)18-10-15(16(21)11-17(18)22)19(25)23-13-4-2-1-3-5-13;1-2(3)4/h1-11,24H,(H,23,25);1H3,(H,3,4).
What are the key properties of acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide?
acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide has a molecular weight of 515.80 g/mol, XLogP of 5.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 90484937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).