N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide

C15H13ClN2O5S — CID 1210774

IUPACN-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13ClN2O5S/c16-10-1-4-12(5-2-10)24(20,21)17-8-15(19)18-11-3-6-13-14(7-11)23-9-22-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyKGHRGXDYLFUSCZ-UHFFFAOYSA-N
MW368.80 g/mol
LogP1.99
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide (PubChem CID 1210774) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
PubChem CID1210774
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13ClN2O5S/c16-10-1-4-12(5-2-10)24(20,21)17-8-15(19)18-11-3-6-13-14(7-11)23-9-22-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyKGHRGXDYLFUSCZ-UHFFFAOYSA-N
XLogP1.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 110606353
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 110407287
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
CID 112999713
methyl 4-[[2-(1,3-benzodioxol-5-ylsulfonylamino)acetyl]amino]benzoate
CID 112999981
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295806
N-(1,3-benzodioxol-5-yl)-3-[(4-ethylphenyl)sulfonylamino]propanamide
CID 110370654
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzenesulfonamide
CID 825686
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1148607

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide (CID 1210774) is N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide?
The InChIKey is KGHRGXDYLFUSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c16-10-1-4-12(5-2-10)24(20,21)17-8-15(19)18-11-3-6-13-14(7-11)23-9-22-13/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide has a molecular weight of 368.80 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1210774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).