4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C26H28ClN3O3S — CID 46767221

IUPAC4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)ccc2Cl)cc1
InChIInChI=1S/C26H28ClN3O3S/c1-19-4-11-23(12-5-19)29-34(32,33)25-16-22(10-13-24(25)27)26(31)28-17-20-6-8-21(9-7-20)18-30-14-2-3-15-30/h4-13,16,29H,2-3,14-15,17-18H2,1H3,(H,28,31)
InChIKeyDLTIDYUEYFHLTA-UHFFFAOYSA-N
MW498.05 g/mol
LogP4.98
Rot. Bonds8

About 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 46767221) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID46767221
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC Name4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)ccc2Cl)cc1
InChIInChI=1S/C26H28ClN3O3S/c1-19-4-11-23(12-5-19)29-34(32,33)25-16-22(10-13-24(25)27)26(31)28-17-20-6-8-21(9-7-20)18-30-14-2-3-15-30/h4-13,16,29H,2-3,14-15,17-18H2,1H3,(H,28,31)
InChIKeyDLTIDYUEYFHLTA-UHFFFAOYSA-N
XLogP4.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767219
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767222
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767776
4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 47047969
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
4-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 27167990
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 46767221) is 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is DLTIDYUEYFHLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c1-19-4-11-23(12-5-19)29-34(32,33)25-16-22(10-13-24(25)27)26(31)28-17-20-6-8-21(9-7-20)18-30-14-2-3-15-30/h4-13,16,29H,2-3,14-15,17-18H2,1H3,(H,28,31).
What are the key properties of 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 498.05 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46767221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).