4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H21ClFN3O3S — CID 119450676

IUPAC4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCNC3)cc2)ccc1F.Cl
InChIInChI=1S/C18H20FN3O3S.ClH/c1-12-10-16(6-7-17(12)19)26(24,25)22-14-4-2-13(3-5-14)18(23)21-15-8-9-20-11-15;/h2-7,10,15,20,22H,8-9,11H2,1H3,(H,21,23);1H
InChIKeyXQIKEXOSDGLCOH-UHFFFAOYSA-N
MW413.90 g/mol
LogP2.45
Rot. Bonds5

About 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119450676) has the molecular formula C18H21ClFN3O3S and a molecular weight of 413.90 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119450676
Molecular FormulaC18H21ClFN3O3S
Molecular Weight413.90 g/mol
Exact Mass413.10
IUPAC Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCNC3)cc2)ccc1F.Cl
InChIInChI=1S/C18H20FN3O3S.ClH/c1-12-10-16(6-7-17(12)19)26(24,25)22-14-4-2-13(3-5-14)18(23)21-15-8-9-20-11-15;/h2-7,10,15,20,22H,8-9,11H2,1H3,(H,21,23);1H
InChIKeyXQIKEXOSDGLCOH-UHFFFAOYSA-N
XLogP2.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511031
3-[(3,4-difluorophenyl)sulfonylamino]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427476
4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386321
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24539662
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119450676) is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCNC3)cc2)ccc1F.Cl.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is XQIKEXOSDGLCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S.ClH/c1-12-10-16(6-7-17(12)19)26(24,25)22-14-4-2-13(3-5-14)18(23)21-15-8-9-20-11-15;/h2-7,10,15,20,22H,8-9,11H2,1H3,(H,21,23);1H.
What are the key properties of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119450676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).