4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide

C19H23N3O4S — CID 119551846

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-22(16-11-12-20-13-16)19(23)14-3-9-18(10-4-14)27(24,25)21-15-5-7-17(26-2)8-6-15/h3-10,16,20-21H,11-13H2,1-2H3
InChIKeyDCUOKIQPIJHPGF-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.93
Rot. Bonds6

About 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119551846) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119551846
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-22(16-11-12-20-13-16)19(23)14-3-9-18(10-4-14)27(24,25)21-15-5-7-17(26-2)8-6-15/h3-10,16,20-21H,11-13H2,1-2H3
InChIKeyDCUOKIQPIJHPGF-UHFFFAOYSA-N
XLogP1.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 119551846) is 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is DCUOKIQPIJHPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-22(16-11-12-20-13-16)19(23)14-3-9-18(10-4-14)27(24,25)21-15-5-7-17(26-2)8-6-15/h3-10,16,20-21H,11-13H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119551846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).