N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide

C13H14N2O4S — CID 100923556

IUPACN-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N)cc1Oc1ccc(O)cc1
InChIInChI=1S/C13H14N2O4S/c1-20(17,18)15-12-7-2-9(14)8-13(12)19-11-5-3-10(16)4-6-11/h2-8,15-16H,14H2,1H3
InChIKeyHEXWBYWZVPVBSN-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.14
Rot. Bonds4

About N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide

N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide (PubChem CID 100923556) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide
PubChem CID100923556
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N)cc1Oc1ccc(O)cc1
InChIInChI=1S/C13H14N2O4S/c1-20(17,18)15-12-7-2-9(14)8-13(12)19-11-5-3-10(16)4-6-11/h2-8,15-16H,14H2,1H3
InChIKeyHEXWBYWZVPVBSN-UHFFFAOYSA-N
XLogP2.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Nimesulide
CID 4495
N-(2-(Cyclohexyloxy)-4-nitrophenyl)methanesulfonamide
CID 4553
N-(2-phenoxyphenyl)methanesulphonamide
CID 103958
N-(2-(4-Methoxyphenoxy)-4-nitrophenyl)methanesulfonamide
CID 9884264
N-(2-Propyloxy-4-nitrophenyl)methanesulfonamide
CID 11680642
N-(2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide
CID 894322
N-(4-amino-3-methoxyphenyl)methanesulfonamide
CID 290500
4-Nitro-2-(4'-hydroxyphenoxy)methanesulfonanilide
CID 130995
Methanesulfonamide, N-(4-amino-2-phenoxyphenyl)-
CID 10731286
N-[2-(4-iodophenoxy)-4-nitrophenyl]methanesulfonamide
CID 122390407
2-Amino-4-(3-amino-4-hydroxyphenoxy)phenol
CID 800189
N-Acetylnimesulide M2 (M5)
CID 86174746

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide (CID 100923556) is N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N)cc1Oc1ccc(O)cc1.
What is the InChIKey of N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide?
The InChIKey is HEXWBYWZVPVBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-20(17,18)15-12-7-2-9(14)8-13(12)19-11-5-3-10(16)4-6-11/h2-8,15-16H,14H2,1H3.
What are the key properties of N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide?
N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(4-hydroxyphenoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 100923556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).