N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H22ClN3O3S — CID 119689597

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CC2CCCN2)c1C.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-9-6-12(21(15,19)20)8-13(10(9)2)17-14(18)7-11-4-3-5-16-11;/h6,8,11,16H,3-5,7H2,1-2H3,(H,17,18)(H2,15,19,20);1H
InChIKeyFVIWHWOEAYRXHI-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.45
Rot. Bonds4

About N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119689597) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119689597
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CC2CCCN2)c1C.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-9-6-12(21(15,19)20)8-13(10(9)2)17-14(18)7-11-4-3-5-16-11;/h6,8,11,16H,3-5,7H2,1-2H3,(H,17,18)(H2,15,19,20);1H
InChIKeyFVIWHWOEAYRXHI-UHFFFAOYSA-N
XLogP1.45
TPSA101.29 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 ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119689597) is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1cc(S(N)(=O)=O)cc(NC(=O)CC2CCCN2)c1C.Cl.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is FVIWHWOEAYRXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-9-6-12(21(15,19)20)8-13(10(9)2)17-14(18)7-11-4-3-5-16-11;/h6,8,11,16H,3-5,7H2,1-2H3,(H,17,18)(H2,15,19,20);1H.
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119689597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).