2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

C23H23ClFN3O3S — CID 55780312

IUPAC2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C23H23ClFN3O3S/c1-15-13-18(27(2)3)9-12-22(15)26-23(29)20-14-19(10-11-21(20)24)32(30,31)28(4)17-7-5-16(25)6-8-17/h5-14H,1-4H3,(H,26,29)
InChIKeyWKUZAZSLPNCCBI-UHFFFAOYSA-N
MW475.97 g/mol
LogP4.93
Rot. Bonds6

About 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (PubChem CID 55780312) has the molecular formula C23H23ClFN3O3S and a molecular weight of 475.97 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
PubChem CID55780312
Molecular FormulaC23H23ClFN3O3S
Molecular Weight475.97 g/mol
Exact Mass475.11
IUPAC Name2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C23H23ClFN3O3S/c1-15-13-18(27(2)3)9-12-22(15)26-23(29)20-14-19(10-11-21(20)24)32(30,31)28(4)17-7-5-16(25)6-8-17/h5-14H,1-4H3,(H,26,29)
InChIKeyWKUZAZSLPNCCBI-UHFFFAOYSA-N
XLogP4.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 16551413
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2709372
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 17434832
methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate
CID 30804474
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 34315456
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2124982
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 25162170
2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 41013446
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (CID 55780312) is 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is Cc1cc(N(C)C)ccc1NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The InChIKey is WKUZAZSLPNCCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O3S/c1-15-13-18(27(2)3)9-12-22(15)26-23(29)20-14-19(10-11-21(20)24)32(30,31)28(4)17-7-5-16(25)6-8-17/h5-14H,1-4H3,(H,26,29).
What are the key properties of 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide has a molecular weight of 475.97 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 55780312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).