2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide

C22H24ClN3O3S — CID 24580810

IUPAC2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl
InChIInChI=1S/C22H24ClN3O3S/c1-14-6-10-18(30(28,29)25(4)5)13-21(14)24-22(27)19-12-17(9-11-20(19)23)26-15(2)7-8-16(26)3/h6-13H,1-5H3,(H,24,27)
InChIKeyDTAQRCCBOWOOTA-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.56
Rot. Bonds5

About 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide

2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide (PubChem CID 24580810) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide
PubChem CID24580810
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC Name2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl
InChIInChI=1S/C22H24ClN3O3S/c1-14-6-10-18(30(28,29)25(4)5)13-21(14)24-22(27)19-12-17(9-11-20(19)23)26-15(2)7-8-16(26)3/h6-13H,1-5H3,(H,24,27)
InChIKeyDTAQRCCBOWOOTA-UHFFFAOYSA-N
XLogP4.56
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
CID 26522089
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide?
The IUPAC name of 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide (CID 24580810) is 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide?
The canonical SMILES for 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide?
The InChIKey is DTAQRCCBOWOOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-14-6-10-18(30(28,29)25(4)5)13-21(14)24-22(27)19-12-17(9-11-20(19)23)26-15(2)7-8-16(26)3/h6-13H,1-5H3,(H,24,27).
What are the key properties of 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide?
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide has a molecular weight of 445.97 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 24580810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).