2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C21H23Cl2N3O3S — CID 55985999

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1N1CCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O3S/c22-17-12-18(23)20(30(28,29)25-15-7-8-15)11-16(17)21(27)24-13-14-5-1-2-6-19(14)26-9-3-4-10-26/h1-2,5-6,11-12,15,25H,3-4,7-10,13H2,(H,24,27)
InChIKeyRIGQPYBRQDDRJC-UHFFFAOYSA-N
MW468.41 g/mol
LogP3.96
Rot. Bonds7

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55985999) has the molecular formula C21H23Cl2N3O3S and a molecular weight of 468.41 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55985999
Molecular FormulaC21H23Cl2N3O3S
Molecular Weight468.41 g/mol
Exact Mass467.08
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1N1CCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O3S/c22-17-12-18(23)20(30(28,29)25-15-7-8-15)11-16(17)21(27)24-13-14-5-1-2-6-19(14)26-9-3-4-10-26/h1-2,5-6,11-12,15,25H,3-4,7-10,13H2,(H,24,27)
InChIKeyRIGQPYBRQDDRJC-UHFFFAOYSA-N
XLogP3.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 19257505
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17497716
2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 39911331
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17474547
2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide
CID 24680795
N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 55866989
2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
CID 5295479
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33312013
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 17476854
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393058

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55985999) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is O=C(NCc1ccccc1N1CCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is RIGQPYBRQDDRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3S/c22-17-12-18(23)20(30(28,29)25-15-7-8-15)11-16(17)21(27)24-13-14-5-1-2-6-19(14)26-9-3-4-10-26/h1-2,5-6,11-12,15,25H,3-4,7-10,13H2,(H,24,27).
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 468.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55985999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).