N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride

C14H22ClN3O3S — CID 119675216

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCNC2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-4-5-12(8-13(10)21(19,20)17(2)3)16-14(18)11-6-7-15-9-11;/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,16,18);1H
InChIKeyBCMFKWGJHQTWKS-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.22
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119675216) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119675216
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCNC2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-4-5-12(8-13(10)21(19,20)17(2)3)16-14(18)11-6-7-15-9-11;/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,16,18);1H
InChIKeyBCMFKWGJHQTWKS-UHFFFAOYSA-N
XLogP1.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
CID 119263634
N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119798869
(1S,2S,4S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 100594159
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
N-[3-(diethylsulfamoyl)-4-methylphenyl]morpholine-2-carboxamide
CID 119674988
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119675216) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CCNC2)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BCMFKWGJHQTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-10-4-5-12(8-13(10)21(19,20)17(2)3)16-14(18)11-6-7-15-9-11;/h4-5,8,11,15H,6-7,9H2,1-3H3,(H,16,18);1H.
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119675216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).