N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide

C18H21N3O3S — CID 119676613

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C18H21N3O3S/c1-21(16-7-3-2-4-8-16)25(23,24)17-9-5-6-15(12-17)20-18(22)14-10-11-19-13-14/h2-9,12,14,19H,10-11,13H2,1H3,(H,20,22)
InChIKeyHKAIVVIWUOHXAK-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.06
Rot. Bonds5

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 119676613) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID119676613
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C18H21N3O3S/c1-21(16-7-3-2-4-8-16)25(23,24)17-9-5-6-15(12-17)20-18(22)14-10-11-19-13-14/h2-9,12,14,19H,10-11,13H2,1H3,(H,20,22)
InChIKeyHKAIVVIWUOHXAK-UHFFFAOYSA-N
XLogP2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-[methyl(phenyl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
CID 119676593
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5017657
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 25325336

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide (CID 119676613) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2CCNC2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HKAIVVIWUOHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-21(16-7-3-2-4-8-16)25(23,24)17-9-5-6-15(12-17)20-18(22)14-10-11-19-13-14/h2-9,12,14,19H,10-11,13H2,1H3,(H,20,22).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119676613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).