4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

C19H22ClN3O3S — CID 56557508

IUPAC4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)C1
InChIInChI=1S/C19H22ClN3O3S/c1-13-9-10-23(12-13)16-6-4-15(5-7-16)21-19(24)14-3-8-17(20)18(11-14)22-27(2,25)26/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyJCGAFKRKTOIVNM-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (PubChem CID 56557508) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
PubChem CID56557508
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)C1
InChIInChI=1S/C19H22ClN3O3S/c1-13-9-10-23(12-13)16-6-4-15(5-7-16)21-19(24)14-3-8-17(20)18(11-14)22-27(2,25)26/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyJCGAFKRKTOIVNM-UHFFFAOYSA-N
XLogP3.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.81
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-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 56559110
3-(azepan-1-ylsulfonyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559304
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 56555972
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 56555924
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
3-bromo-5-fluoro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556215
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556170
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
CID 100786334

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (CID 56557508) is 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)C1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is JCGAFKRKTOIVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-13-9-10-23(12-13)16-6-4-15(5-7-16)21-19(24)14-3-8-17(20)18(11-14)22-27(2,25)26/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 407.92 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 56557508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).