Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride

Name: Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₅ClN₂O₄S — CID 119976762

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride

SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C.Cl

InChIInChI=1S/C16H24N2O4S.ClH/c1-4-9-18(14-7-8-17-11-14)23(20,21)15-6-5-13(10-12(15)2)16(19)22-3;/h5-6,10,14,17H,4,7-9,11H2,1-3H3;1H

InChIKeyOJSJNVVETGEOAS-UHFFFAOYSA-N

MW376.91 g/mol

LogP1.97

Rot. Bonds6

About Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride

Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 119976762) has the molecular formula C₁₆H₂₅ClN₂O₄S and a molecular weight of 376.91 g/mol. Its IUPAC name is methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Name	Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID	119976762
Molecular Formula	C₁₆H₂₅ClN₂O₄S
Molecular Weight	376.91 g/mol
Exact Mass	376.12
IUPAC Name	methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILES	CCCN(C1CCNC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C.Cl
InChI	InChI=1S/C16H24N2O4S.ClH/c1-4-9-18(14-7-8-17-11-14)23(20,21)15-6-5-13(10-12(15)2)16(19)22-3;/h5-6,10,14,17H,4,7-9,11H2,1-3H3;1H
InChIKey	OJSJNVVETGEOAS-UHFFFAOYSA-N
XLogP	1.97
TPSA	75.71 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.91
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride?

The IUPAC name of Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride (CID 119976762) is methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride.

What is the SMILES notation for Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride?

The canonical SMILES for Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C.Cl.

What is the InChIKey of Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride?

The InChIKey is OJSJNVVETGEOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S.ClH/c1-4-9-18(14-7-8-17-11-14)23(20,21)15-6-5-13(10-12(15)2)16(19)22-3;/h5-6,10,14,17H,4,7-9,11H2,1-3H3;1H.

What are the key properties of Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride?

Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119976762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 119976762 — identifiers, structure, computed properties (public domain)

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