2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide

C15H23N3O4S — CID 119976329

IUPAC2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-3-8-18(11-6-7-17-10-11)23(20,21)12-4-5-14(22-2)13(9-12)15(16)19/h4-5,9,11,17H,3,6-8,10H2,1-2H3,(H2,16,19)
InChIKeySKQBSRTZNOJCNA-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.56
Rot. Bonds7

About 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide

2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide (PubChem CID 119976329) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide
PubChem CID119976329
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-3-8-18(11-6-7-17-10-11)23(20,21)12-4-5-14(22-2)13(9-12)15(16)19/h4-5,9,11,17H,3,6-8,10H2,1-2H3,(H2,16,19)
InChIKeySKQBSRTZNOJCNA-UHFFFAOYSA-N
XLogP0.56
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994139
1-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 126766175
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
CID 119976743
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798
5-[cyclopropyl(oxolan-3-ylmethyl)sulfamoyl]-2-methoxybenzamide
CID 47031527

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide (CID 119976329) is 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide is CCCN(C1CCNC1)S(=O)(=O)c1ccc(OC)c(C(N)=O)c1.
What is the InChIKey of 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide?
The InChIKey is SKQBSRTZNOJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-8-18(11-6-7-17-10-11)23(20,21)12-4-5-14(22-2)13(9-12)15(16)19/h4-5,9,11,17H,3,6-8,10H2,1-2H3,(H2,16,19).
What are the key properties of 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide?
2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide has a molecular weight of 341.43 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 119976329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).