N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride

C14H22ClN3O3S — CID 119270691

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(NC(=O)C2CCCNC2)ccc1C.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-5-6-12(8-13(10)21(19,20)15-2)17-14(18)11-4-3-7-16-9-11;/h5-6,8,11,15-16H,3-4,7,9H2,1-2H3,(H,17,18);1H
InChIKeyIMRQDAHAWJQBQS-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.26
Rot. Bonds4

About N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride

N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119270691) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119270691
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(NC(=O)C2CCCNC2)ccc1C.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-5-6-12(8-13(10)21(19,20)15-2)17-14(18)11-4-3-7-16-9-11;/h5-6,8,11,15-16H,3-4,7,9H2,1-2H3,(H,17,18);1H
InChIKeyIMRQDAHAWJQBQS-UHFFFAOYSA-N
XLogP1.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
CID 119263634
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119675216
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
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119798869
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(2-methyl-1H-indol-5-yl)piperidine-3-carboxamide;hydrochloride
CID 126777358

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119270691) is N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride is CNS(=O)(=O)c1cc(NC(=O)C2CCCNC2)ccc1C.Cl.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is IMRQDAHAWJQBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-10-5-6-12(8-13(10)21(19,20)15-2)17-14(18)11-4-3-7-16-9-11;/h5-6,8,11,15-16H,3-4,7,9H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119270691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).