3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

C20H24ClN3O3S — CID 56557578

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C20H24ClN3O3S/c1-15-10-12-24(14-15)18-7-5-17(6-8-18)23-20(25)9-11-22-28(26,27)19-4-2-3-16(21)13-19/h2-8,13,15,22H,9-12,14H2,1H3,(H,23,25)
InChIKeyKNNASCNJYGSTRZ-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.49
Rot. Bonds7

About 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 56557578) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID56557578
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C20H24ClN3O3S/c1-15-10-12-24(14-15)18-7-5-17(6-8-18)23-20(25)9-11-22-28(26,27)19-4-2-3-16(21)13-19/h2-8,13,15,22H,9-12,14H2,1H3,(H,23,25)
InChIKeyKNNASCNJYGSTRZ-UHFFFAOYSA-N
XLogP3.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.49
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

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557708
2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559143
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 30186906
3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110424864
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557830
2-(3-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56555945
1-[2-(3-chlorophenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991011
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (CID 56557578) is 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is CC1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)cc2)C1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is KNNASCNJYGSTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-15-10-12-24(14-15)18-7-5-17(6-8-18)23-20(25)9-11-22-28(26,27)19-4-2-3-16(21)13-19/h2-8,13,15,22H,9-12,14H2,1H3,(H,23,25).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 421.95 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 56557578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).