4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C20H26ClN3O3S — CID 119550537

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCNC3)cc2)cc1C.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-4-9-19(12-15(14)2)27(25,26)22-17-7-5-16(6-8-17)20(24)23(3)18-10-11-21-13-18;/h4-9,12,18,21-22H,10-11,13H2,1-3H3;1H
InChIKeyTYZKIPVAHZDMTB-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.96
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119550537) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119550537
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCNC3)cc2)cc1C.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-4-9-19(12-15(14)2)27(25,26)22-17-7-5-16(6-8-17)20(24)23(3)18-10-11-21-13-18;/h4-9,12,18,21-22H,10-11,13H2,1-3H3;1H
InChIKeyTYZKIPVAHZDMTB-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 119554301
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551846
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552441
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552011
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450676
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553054

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119550537) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCNC3)cc2)cc1C.Cl.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is TYZKIPVAHZDMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-14-4-9-19(12-15(14)2)27(25,26)22-17-7-5-16(6-8-17)20(24)23(3)18-10-11-21-13-18;/h4-9,12,18,21-22H,10-11,13H2,1-3H3;1H.
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119550537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).