N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide

C13H15ClN2O3S2 — CID 103099528

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-8-5-12(20-13(8)14)21(17,18)16-7-9-6-10(15)3-4-11(9)19-2/h3-6,16H,7,15H2,1-2H3
InChIKeyYQXSKAGPGCENRY-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.78
Rot. Bonds5

About N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide

N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide (PubChem CID 103099528) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
PubChem CID103099528
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-8-5-12(20-13(8)14)21(17,18)16-7-9-6-10(15)3-4-11(9)19-2/h3-6,16H,7,15H2,1-2H3
InChIKeyYQXSKAGPGCENRY-UHFFFAOYSA-N
XLogP2.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 119046080
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54903401
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051507
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 146421787
N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 54903496
N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099479
N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
CID 35606425

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide (CID 103099528) is N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide is COc1ccc(N)cc1CNS(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide?
The InChIKey is YQXSKAGPGCENRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-8-5-12(20-13(8)14)21(17,18)16-7-9-6-10(15)3-4-11(9)19-2/h3-6,16H,7,15H2,1-2H3.
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide?
N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide has a molecular weight of 346.86 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103099528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).