N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride

C18H21Cl2N3O3S — CID 119263693

IUPACN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCN2)cc1S(=O)(=O)Nc1cccc(Cl)c1.Cl
InChIInChI=1S/C18H20ClN3O3S.ClH/c1-12-7-8-14(21-18(23)16-6-3-9-20-16)11-17(12)26(24,25)22-15-5-2-4-13(19)10-15;/h2,4-5,7-8,10-11,16,20,22H,3,6,9H2,1H3,(H,21,23);1H
InChIKeyDEHDQTQVFLXPCV-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.56
Rot. Bonds5

About N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119263693) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119263693
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCN2)cc1S(=O)(=O)Nc1cccc(Cl)c1.Cl
InChIInChI=1S/C18H20ClN3O3S.ClH/c1-12-7-8-14(21-18(23)16-6-3-9-20-16)11-17(12)26(24,25)22-15-5-2-4-13(19)10-15;/h2,4-5,7-8,10-11,16,20,22H,3,6,9H2,1H3,(H,21,23);1H
InChIKeyDEHDQTQVFLXPCV-UHFFFAOYSA-N
XLogP3.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119265955
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
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-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119730948

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119263693) is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CCCN2)cc1S(=O)(=O)Nc1cccc(Cl)c1.Cl.
What is the InChIKey of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DEHDQTQVFLXPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S.ClH/c1-12-7-8-14(21-18(23)16-6-3-9-20-16)11-17(12)26(24,25)22-15-5-2-4-13(19)10-15;/h2,4-5,7-8,10-11,16,20,22H,3,6,9H2,1H3,(H,21,23);1H.
What are the key properties of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 430.36 g/mol, XLogP of 3.56, 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-2-carboxamide;hydrochloride is sourced from PubChem (CID 119263693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).