3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C15H24ClN3O4S — CID 119512431

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CCCN2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-18(2)23(20,21)14-9-11(6-7-13(14)22-3)15(19)17-10-12-5-4-8-16-12;/h6-7,9,12,16H,4-5,8,10H2,1-3H3,(H,17,19);1H
InChIKeySZABNSBKWOOVSK-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.85
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119512431) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119512431
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CCCN2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-18(2)23(20,21)14-9-11(6-7-13(14)22-3)15(19)17-10-12-5-4-8-16-12;/h6-7,9,12,16H,4-5,8,10H2,1-3H3,(H,17,19);1H
InChIKeySZABNSBKWOOVSK-UHFFFAOYSA-N
XLogP0.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
4-methoxy-N-methyl-3-[4-[[(2S)-pyrrolidin-2-yl]methylcarbamoyl]phenyl]benzamide;hydrochloride
CID 154904287
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512053
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659
N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119610980
N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
CID 52793193
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119512431) is 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is COc1ccc(C(=O)NCC2CCCN2)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is SZABNSBKWOOVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-18(2)23(20,21)14-9-11(6-7-13(14)22-3)15(19)17-10-12-5-4-8-16-12;/h6-7,9,12,16H,4-5,8,10H2,1-3H3,(H,17,19);1H.
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119512431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).