N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide

C15H13ClN2O5S — CID 9314668

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1Cl
InChIInChI=1S/C15H13ClN2O5S/c16-11-3-2-10(6-14(11)24(17,20)21)15(19)18-7-9-1-4-12-13(5-9)23-8-22-12/h1-6H,7-8H2,(H,18,19)(H2,17,20,21)
InChIKeyANXXUSQPDJQFPG-UHFFFAOYSA-N
MW368.80 g/mol
LogP1.65
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide (PubChem CID 9314668) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide
PubChem CID9314668
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1Cl
InChIInChI=1S/C15H13ClN2O5S/c16-11-3-2-10(6-14(11)24(17,20)21)15(19)18-7-9-1-4-12-13(5-9)23-8-22-12/h1-6H,7-8H2,(H,18,19)(H2,17,20,21)
InChIKeyANXXUSQPDJQFPG-UHFFFAOYSA-N
XLogP1.65
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2704676
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 26500687
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 16537956
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 2240526
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-sulfamoylbenzamide
CID 110678052
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30836100

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide (CID 9314668) is N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide?
The InChIKey is ANXXUSQPDJQFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c16-11-3-2-10(6-14(11)24(17,20)21)15(19)18-7-9-1-4-12-13(5-9)23-8-22-12/h1-6H,7-8H2,(H,18,19)(H2,17,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide has a molecular weight of 368.80 g/mol, XLogP of 1.65, 4 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-ylmethyl)-4-chloro-3-sulfamoylbenzamide is sourced from PubChem (CID 9314668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).