N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide

C12H14N2O2S2 — CID 61296020

IUPACN-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccc(N)c2)s1
InChIInChI=1S/C12H14N2O2S2/c1-9-6-7-12(17-9)18(15,16)14(2)11-5-3-4-10(13)8-11/h3-8H,13H2,1-2H3
InChIKeyWASJAHXZRXNTNU-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.46
Rot. Bonds3

About N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide

N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide (PubChem CID 61296020) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
PubChem CID61296020
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccc(N)c2)s1
InChIInChI=1S/C12H14N2O2S2/c1-9-6-7-12(17-9)18(15,16)14(2)11-5-3-4-10(13)8-11/h3-8H,13H2,1-2H3
InChIKeyWASJAHXZRXNTNU-UHFFFAOYSA-N
XLogP2.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide
CID 43459044
N-(3-aminophenyl)-3-bromo-N-methylbenzenesulfonamide
CID 61297692
3-N-methyl-3-N-[methyl(propan-2-yl)sulfamoyl]benzene-1,3-diamine
CID 54947671
N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
CID 63229626
5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
CID 106272065
N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide
CID 63229565
5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
CID 107736812
N-(3-aminophenyl)-4-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 116527243
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61140502
5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62004378
N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
CID 110732957
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 43550344

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide (CID 61296020) is N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cccc(N)c2)s1.
What is the InChIKey of N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide?
The InChIKey is WASJAHXZRXNTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-9-6-7-12(17-9)18(15,16)14(2)11-5-3-4-10(13)8-11/h3-8H,13H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide?
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 61296020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).