N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide

C17H18N2O5S — CID 31550186

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O5S/c1-11-2-4-13(25(18,21)22)9-14(11)17(20)19-7-6-12-3-5-15-16(8-12)24-10-23-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyBLZFAQNYYRDKPB-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.34
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide (PubChem CID 31550186) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide
PubChem CID31550186
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O5S/c1-11-2-4-13(25(18,21)22)9-14(11)17(20)19-7-6-12-3-5-15-16(8-12)24-10-23-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyBLZFAQNYYRDKPB-UHFFFAOYSA-N
XLogP1.34
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
2-(1,3-benzodioxol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 110767399
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111379978
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylbenzamide
CID 17397216
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230
3-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzenesulfonamide
CID 57405504
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-bromo-2-fluorobenzamide
CID 18117976
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
CID 17491004
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24539703
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 68690999
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide (CID 31550186) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide?
The InChIKey is BLZFAQNYYRDKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-11-2-4-13(25(18,21)22)9-14(11)17(20)19-7-6-12-3-5-15-16(8-12)24-10-23-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide has a molecular weight of 362.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 31550186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).