4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

C25H27N3O3S — CID 56557769

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCC(C)C4)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-18-3-7-22(8-4-18)27-32(30,31)24-13-5-20(6-14-24)25(29)26-21-9-11-23(12-10-21)28-16-15-19(2)17-28/h3-14,19,27H,15-17H2,1-2H3,(H,26,29)
InChIKeyZSWLPWMQAUBSER-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.89
Rot. Bonds6

About 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (PubChem CID 56557769) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
PubChem CID56557769
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCC(C)C4)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-18-3-7-22(8-4-18)27-32(30,31)24-13-5-20(6-14-24)25(29)26-21-9-11-23(12-10-21)28-16-15-19(2)17-28/h3-14,19,27H,15-17H2,1-2H3,(H,26,29)
InChIKeyZSWLPWMQAUBSER-UHFFFAOYSA-N
XLogP4.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.89
H-Bond Donors ≤ 52
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

N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 56555972
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 25358953
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pentanamide
CID 56557800
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
CID 90595351
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55787559
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 56559110
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (CID 56557769) is 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCC(C)C4)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is ZSWLPWMQAUBSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-18-3-7-22(8-4-18)27-32(30,31)24-13-5-20(6-14-24)25(29)26-21-9-11-23(12-10-21)28-16-15-19(2)17-28/h3-14,19,27H,15-17H2,1-2H3,(H,26,29).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 449.58 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 56557769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).