2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride

C19H24ClN3O3S — CID 171709257

IUPAC2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2CC2CCNC2)cc1
InChIInChI=1S/C19H23N3O3S.ClH/c20-26(24,25)17-7-5-14(6-8-17)13-22-19(23)18-4-2-1-3-16(18)11-15-9-10-21-12-15;/h1-8,15,21H,9-13H2,(H,22,23)(H2,20,24,25);1H
InChIKeyMOJFCWQIBHBFQT-UHFFFAOYSA-N
MW409.94 g/mol
LogP1.84
Rot. Bonds6

About 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride

2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride (PubChem CID 171709257) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride
PubChem CID171709257
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2CC2CCNC2)cc1
InChIInChI=1S/C19H23N3O3S.ClH/c20-26(24,25)17-7-5-14(6-8-17)13-22-19(23)18-4-2-1-3-16(18)11-15-9-10-21-12-15;/h1-8,15,21H,9-13H2,(H,22,23)(H2,20,24,25);1H
InChIKeyMOJFCWQIBHBFQT-UHFFFAOYSA-N
XLogP1.84
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171711983
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171708530
5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 171708780
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712805
4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
CID 80553043
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712860
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride (CID 171709257) is 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2CC2CCNC2)cc1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride?
The InChIKey is MOJFCWQIBHBFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c20-26(24,25)17-7-5-14(6-8-17)13-22-19(23)18-4-2-1-3-16(18)11-15-9-10-21-12-15;/h1-8,15,21H,9-13H2,(H,22,23)(H2,20,24,25);1H.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride?
2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 171709257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).