N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide

C12H14N2O3S2 — CID 43550344

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)s1
InChIInChI=1S/C12H14N2O3S2/c1-8-2-5-12(18-8)19(16,17)14-7-9-6-10(13)3-4-11(9)15/h2-6,14-15H,7,13H2,1H3
InChIKeyLDDUCMAVNXKZOM-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.82
Rot. Bonds4

About N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide

N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 43550344) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID43550344
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)s1
InChIInChI=1S/C12H14N2O3S2/c1-8-2-5-12(18-8)19(16,17)14-7-9-6-10(13)3-4-11(9)15/h2-6,14-15H,7,13H2,1H3
InChIKeyLDDUCMAVNXKZOM-UHFFFAOYSA-N
XLogP1.82
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 43550358
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 62500636
N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43550315
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
N-[(5-amino-2-hydroxyphenyl)methyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465490
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
CID 61132568
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
CID 63733262
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide (CID 43550344) is N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)s1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is LDDUCMAVNXKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-8-2-5-12(18-8)19(16,17)14-7-9-6-10(13)3-4-11(9)15/h2-6,14-15H,7,13H2,1H3.
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 43550344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).