N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide

C12H12N2O4S2 — CID 43550425

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2N)OCO3)s1
InChIInChI=1S/C12H12N2O4S2/c1-7-2-3-12(19-7)20(15,16)14-9-5-11-10(4-8(9)13)17-6-18-11/h2-5,14H,6,13H2,1H3
InChIKeyAYXBNUJQMVLBHK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide

N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 43550425) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
PubChem CID43550425
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2N)OCO3)s1
InChIInChI=1S/C12H12N2O4S2/c1-7-2-3-12(19-7)20(15,16)14-9-5-11-10(4-8(9)13)17-6-18-11/h2-5,14H,6,13H2,1H3
InChIKeyAYXBNUJQMVLBHK-UHFFFAOYSA-N
XLogP2.17
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18125828
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413868
N-(6-amino-1,3-benzodioxol-5-yl)ethanesulfonamide
CID 43550435
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 42933754
N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide
CID 102690534
N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide
CID 43550595
N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
CID 103844041
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide (CID 43550425) is N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N)OCO3)s1.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is AYXBNUJQMVLBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-7-2-3-12(19-7)20(15,16)14-9-5-11-10(4-8(9)13)17-6-18-11/h2-5,14H,6,13H2,1H3.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 43550425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).