N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide

C18H20ClN3O3S — CID 119675111

IUPACN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCNC2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c1-12-5-6-15(21-18(23)13-7-8-20-11-13)10-17(12)26(24,25)22-16-4-2-3-14(19)9-16/h2-6,9-10,13,20,22H,7-8,11H2,1H3,(H,21,23)
InChIKeyMNZOHVHQONUPJG-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.00
Rot. Bonds5

About N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide (PubChem CID 119675111) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
PubChem CID119675111
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCNC2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c1-12-5-6-15(21-18(23)13-7-8-20-11-13)10-17(12)26(24,25)22-16-4-2-3-14(19)9-16/h2-6,9-10,13,20,22H,7-8,11H2,1H3,(H,21,23)
InChIKeyMNZOHVHQONUPJG-UHFFFAOYSA-N
XLogP3.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263693
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39899026
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 46489197
N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119675216
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30805403

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide (CID 119675111) is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CCNC2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide?
The InChIKey is MNZOHVHQONUPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-12-5-6-15(21-18(23)13-7-8-20-11-13)10-17(12)26(24,25)22-16-4-2-3-14(19)9-16/h2-6,9-10,13,20,22H,7-8,11H2,1H3,(H,21,23).
What are the key properties of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide?
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119675111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).