N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride

C15H22ClN3O3S — CID 119424241

IUPACN-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-2-8-17-22(20,21)14-7-3-5-12(10-14)15(19)18-13-6-4-9-16-11-13;/h2-3,5,7,10,13,16-17H,1,4,6,8-9,11H2,(H,18,19);1H
InChIKeyKMDYWTPNVMGZIN-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.05
Rot. Bonds6

About N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride

N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride (PubChem CID 119424241) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
PubChem CID119424241
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-2-8-17-22(20,21)14-7-3-5-12(10-14)15(19)18-13-6-4-9-16-11-13;/h2-3,5,7,10,13,16-17H,1,4,6,8-9,11H2,(H,18,19);1H
InChIKeyKMDYWTPNVMGZIN-UHFFFAOYSA-N
XLogP1.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119400111
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633
3-[3-(1H-imidazol-2-yl)propylsulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77091912
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride (CID 119424241) is N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride is C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1.Cl.
What is the InChIKey of N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The InChIKey is KMDYWTPNVMGZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S.ClH/c1-2-8-17-22(20,21)14-7-3-5-12(10-14)15(19)18-13-6-4-9-16-11-13;/h2-3,5,7,10,13,16-17H,1,4,6,8-9,11H2,(H,18,19);1H.
What are the key properties of N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119424241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).