methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride

C15H23ClN2O4S — CID 119976798

IUPACmethyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccccc1C(=O)OC.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-3-10-17(12-8-9-16-11-12)22(19,20)14-7-5-4-6-13(14)15(18)21-2;/h4-7,12,16H,3,8-11H2,1-2H3;1H
InChIKeyOBWRSQBIFNLVIW-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.66
Rot. Bonds6

About methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride

methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 119976798) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID119976798
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Namemethyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccccc1C(=O)OC.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-3-10-17(12-8-9-16-11-12)22(19,20)14-7-5-4-6-13(14)15(18)21-2;/h4-7,12,16H,3,8-11H2,1-2H3;1H
InChIKeyOBWRSQBIFNLVIW-UHFFFAOYSA-N
XLogP1.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119993890
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976762
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
methyl 3-[propyl(pyrrolidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate;hydrochloride
CID 119976720
methyl 3-[propyl(pyrrolidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 119976721
ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119976480
methyl 3-chloro-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate;hydrochloride
CID 119993955
2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411
methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119994102
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071
N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95395150

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride (CID 119976798) is methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1ccccc1C(=O)OC.Cl.
What is the InChIKey of methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is OBWRSQBIFNLVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.ClH/c1-3-10-17(12-8-9-16-11-12)22(19,20)14-7-5-4-6-13(14)15(18)21-2;/h4-7,12,16H,3,8-11H2,1-2H3;1H.
What are the key properties of methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride?
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119976798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).