N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide

C14H16N2O3S — CID 43550358

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)cc1
InChIInChI=1S/C14H16N2O3S/c1-10-2-5-13(6-3-10)20(18,19)16-9-11-8-12(15)4-7-14(11)17/h2-8,16-17H,9,15H2,1H3
InChIKeyKVDXWRCQYVZRED-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.76
Rot. Bonds4

About N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide

N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 43550358) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID43550358
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)cc1
InChIInChI=1S/C14H16N2O3S/c1-10-2-5-13(6-3-10)20(18,19)16-9-11-8-12(15)4-7-14(11)17/h2-8,16-17H,9,15H2,1H3
InChIKeyKVDXWRCQYVZRED-UHFFFAOYSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 43550344
N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
CID 114612850
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 154116632
N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43550315
N-[(5-amino-2-hydroxyphenyl)methyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465490
N-[(3,6-dichloropyridazin-4-yl)methyl]-4-methylbenzenesulfonamide
CID 11771905
4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide
CID 68817319
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43550340
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 43550358) is N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)cc1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is KVDXWRCQYVZRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-2-5-13(6-3-10)20(18,19)16-9-11-8-12(15)4-7-14(11)17/h2-8,16-17H,9,15H2,1H3.
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 43550358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).