N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide

C17H17ClN2O4S — CID 110361952

IUPACN-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(N2CCCC2)ccc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17ClN2O4S/c18-14-5-3-12(20-7-1-2-8-20)9-15(14)19-25(21,22)13-4-6-16-17(10-13)24-11-23-16/h3-6,9-10,19H,1-2,7-8,11H2
InChIKeyAQGQTIOWMIEDBE-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.47
Rot. Bonds4

About N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide

N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110361952) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110361952
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(N2CCCC2)ccc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17ClN2O4S/c18-14-5-3-12(20-7-1-2-8-20)9-15(14)19-25(21,22)13-4-6-16-17(10-13)24-11-23-16/h3-6,9-10,19H,1-2,7-8,11H2
InChIKeyAQGQTIOWMIEDBE-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
CID 110361959
N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110361942
N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112981618
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(3-chloro-4-fluorophenyl)piperazine
CID 113076985
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
N-(2-chloro-5-piperidin-1-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110362322
N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide (CID 110361952) is N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide is O=S(=O)(Nc1cc(N2CCCC2)ccc1Cl)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is AQGQTIOWMIEDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-14-5-3-12(20-7-1-2-8-20)9-15(14)19-25(21,22)13-4-6-16-17(10-13)24-11-23-16/h3-6,9-10,19H,1-2,7-8,11H2.
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 380.85 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110361952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).