(3-phenylmethoxyphenyl)sulfamic acid

C13H13NO4S — CID 10193116

IUPAC(3-phenylmethoxyphenyl)sulfamic acid
SMILESO=S(=O)(O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C13H13NO4S/c15-19(16,17)14-12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H,15,16,17)
InChIKeyFHQBRUOFTJBCCK-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.48
Rot. Bonds5

About (3-phenylmethoxyphenyl)sulfamic acid

(3-phenylmethoxyphenyl)sulfamic acid (PubChem CID 10193116) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl)sulfamic acid.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl)sulfamic acid
PubChem CID10193116
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name(3-phenylmethoxyphenyl)sulfamic acid
SMILESO=S(=O)(O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C13H13NO4S/c15-19(16,17)14-12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H,15,16,17)
InChIKeyFHQBRUOFTJBCCK-UHFFFAOYSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 122187088
phenoxymethylbenzene;sulfuric acid
CID 68982967
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
N-benzyl-3-phenylmethoxyaniline
CID 54801332
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
4-chloro-N-(3-phenylmethoxyphenyl)butanamide
CID 17161005
(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
[3,5-bis(phenylmethoxy)phenyl]methyl hydrogen sulfate
CID 102022862

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl)sulfamic acid?
The IUPAC name of (3-phenylmethoxyphenyl)sulfamic acid (CID 10193116) is (3-phenylmethoxyphenyl)sulfamic acid.
What is the SMILES notation for (3-phenylmethoxyphenyl)sulfamic acid?
The canonical SMILES for (3-phenylmethoxyphenyl)sulfamic acid is O=S(=O)(O)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of (3-phenylmethoxyphenyl)sulfamic acid?
The InChIKey is FHQBRUOFTJBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c15-19(16,17)14-12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H,15,16,17).
What are the key properties of (3-phenylmethoxyphenyl)sulfamic acid?
(3-phenylmethoxyphenyl)sulfamic acid has a molecular weight of 279.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl)sulfamic acid is sourced from PubChem (CID 10193116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).