dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride

C14H19ClN2O6S — CID 119967037

IUPACdimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride
SMILESCOC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C14H18N2O6S.ClH/c1-21-13(17)9-5-10(14(18)22-2)7-12(6-9)23(19,20)16-11-3-4-15-8-11;/h5-7,11,15-16H,3-4,8H2,1-2H3;1H
InChIKeyRXAZMPLRGYUDAL-UHFFFAOYSA-N
MW378.83 g/mol
LogP0.32
Rot. Bonds5

About dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride

dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride (PubChem CID 119967037) has the molecular formula C14H19ClN2O6S and a molecular weight of 378.83 g/mol. Its IUPAC name is dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namedimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride
PubChem CID119967037
Molecular FormulaC14H19ClN2O6S
Molecular Weight378.83 g/mol
Exact Mass378.07
IUPAC Namedimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride
SMILESCOC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C14H18N2O6S.ClH/c1-21-13(17)9-5-10(14(18)22-2)7-12(6-9)23(19,20)16-11-3-4-15-8-11;/h5-7,11,15-16H,3-4,8H2,1-2H3;1H
InChIKeyRXAZMPLRGYUDAL-UHFFFAOYSA-N
XLogP0.32
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
methyl 3-chloro-4-(pyrrolidin-3-ylsulfamoyl)benzoate
CID 119967067
methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
CID 119967240
N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707602
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 120874654
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
3-(cyclopropylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450174
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
methyl 4-chloro-3-[[(3S)-piperidin-3-yl]sulfamoyl]benzoate
CID 104982557
methyl 2-fluoro-6-(pyrrolidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119967312

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride?
The IUPAC name of dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride (CID 119967037) is dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride.
What is the SMILES notation for dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride?
The canonical SMILES for dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride is COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC2CCNC2)c1.Cl.
What is the InChIKey of dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride?
The InChIKey is RXAZMPLRGYUDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S.ClH/c1-21-13(17)9-5-10(14(18)22-2)7-12(6-9)23(19,20)16-11-3-4-15-8-11;/h5-7,11,15-16H,3-4,8H2,1-2H3;1H.
What are the key properties of dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride?
dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride has a molecular weight of 378.83 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride is sourced from PubChem (CID 119967037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).