3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol

C14H15NO3S — CID 81183738

IUPAC3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol
SMILESCc1ccc(N)c(S(=O)(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C14H15NO3S/c1-10-5-6-13(15)14(7-10)19(17,18)9-11-3-2-4-12(16)8-11/h2-8,16H,9,15H2,1H3
InChIKeyMKYYXIHJJPXWER-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.26
Rot. Bonds3

About 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol

3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol (PubChem CID 81183738) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol.

Molecular Properties

Compound Name3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol
PubChem CID81183738
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol
SMILESCc1ccc(N)c(S(=O)(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C14H15NO3S/c1-10-5-6-13(15)14(7-10)19(17,18)9-11-3-2-4-12(16)8-11/h2-8,16H,9,15H2,1H3
InChIKeyMKYYXIHJJPXWER-UHFFFAOYSA-N
XLogP2.26
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide
CID 81193096
2-[(4-bromophenyl)methylsulfonyl]-4-methylaniline
CID 81183054
4-methyl-2-[(4-nitrophenyl)methylsulfonyl]aniline
CID 81192616
2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]-4-methylaniline
CID 81191620
4-bromo-2-[(3-bromophenyl)methylsulfonyl]aniline
CID 81207588
1-[3-[(3-hydroxyphenyl)methylsulfonyl]-4-methylphenyl]-3-(4-methylphenyl)urea
CID 160725572
2-[(3-methoxyphenyl)methylsulfonyl]-5-methylaniline
CID 81193072
5-chloro-2-[(3-methylphenyl)methylsulfonyl]aniline
CID 81176243
4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]aniline
CID 81183565
2-[(2-methoxyphenyl)methylsulfonyl]-4-methylaniline
CID 81183316
2-[(3,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81192314
3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide
CID 81201482

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol?
The IUPAC name of 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol (CID 81183738) is 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol.
What is the SMILES notation for 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol?
The canonical SMILES for 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol is Cc1ccc(N)c(S(=O)(=O)Cc2cccc(O)c2)c1.
What is the InChIKey of 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol?
The InChIKey is MKYYXIHJJPXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-5-6-13(15)14(7-10)19(17,18)9-11-3-2-4-12(16)8-11/h2-8,16H,9,15H2,1H3.
What are the key properties of 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol?
3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol has a molecular weight of 277.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol is sourced from PubChem (CID 81183738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).