N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride

C16H24ClN3O3S — CID 154896474

IUPACN-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
SMILESC=CCN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN2)cc1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-3-11-19(2)16(20)13-6-8-15(9-7-13)23(21,22)18-12-14-5-4-10-17-14;/h3,6-9,14,17-18H,1,4-5,10-12H2,2H3;1H/t14-;/m1./s1
InChIKeyVGHOPUUHUBFRFN-PFEQFJNWSA-N
MW373.91 g/mol
LogP1.40
Rot. Bonds7

About N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride

N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride (PubChem CID 154896474) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
PubChem CID154896474
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
SMILESC=CCN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN2)cc1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-3-11-19(2)16(20)13-6-8-15(9-7-13)23(21,22)18-12-14-5-4-10-17-14;/h3,6-9,14,17-18H,1,4-5,10-12H2,2H3;1H/t14-;/m1./s1
InChIKeyVGHOPUUHUBFRFN-PFEQFJNWSA-N
XLogP1.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
N-methyl-4-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]benzamide
CID 104972549
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974575
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
4-[(4-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510406
4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106618597

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride (CID 154896474) is N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride is C=CCN(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN2)cc1.Cl.
What is the InChIKey of N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride?
The InChIKey is VGHOPUUHUBFRFN-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-3-11-19(2)16(20)13-6-8-15(9-7-13)23(21,22)18-12-14-5-4-10-17-14;/h3,6-9,14,17-18H,1,4-5,10-12H2,2H3;1H/t14-;/m1./s1.
What are the key properties of N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride?
N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyl-4-[[(2R)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 154896474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).