2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide

C21H21Cl2N3O4S — CID 24680795

IUPAC2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C21H21Cl2N3O4S/c22-17-10-18(23)19(31(29,30)26-15-7-8-15)9-16(17)21(28)24-11-12-1-5-14(6-2-12)25-20(27)13-3-4-13/h1-2,5-6,9-10,13,15,26H,3-4,7-8,11H2,(H,24,28)(H,25,27)
InChIKeyZUARZJIWJKSHFN-UHFFFAOYSA-N
MW482.39 g/mol
LogP3.71
Rot. Bonds8

About 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide

2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide (PubChem CID 24680795) has the molecular formula C21H21Cl2N3O4S and a molecular weight of 482.39 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide
PubChem CID24680795
Molecular FormulaC21H21Cl2N3O4S
Molecular Weight482.39 g/mol
Exact Mass481.06
IUPAC Name2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C21H21Cl2N3O4S/c22-17-10-18(23)19(31(29,30)26-15-7-8-15)9-16(17)21(28)24-11-12-1-5-14(6-2-12)25-20(27)13-3-4-13/h1-2,5-6,9-10,13,15,26H,3-4,7-8,11H2,(H,24,28)(H,25,27)
InChIKeyZUARZJIWJKSHFN-UHFFFAOYSA-N
XLogP3.71
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17497716
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33312013
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985999
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 55866989
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 19257534
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 19257505
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 30866994

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide (CID 24680795) is 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide is O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide?
The InChIKey is ZUARZJIWJKSHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4S/c22-17-10-18(23)19(31(29,30)26-15-7-8-15)9-16(17)21(28)24-11-12-1-5-14(6-2-12)25-20(27)13-3-4-13/h1-2,5-6,9-10,13,15,26H,3-4,7-8,11H2,(H,24,28)(H,25,27).
What are the key properties of 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide?
2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide has a molecular weight of 482.39 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 24680795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).