1-(2-phenylmethoxyphenyl)propane-1-sulfonamide

C16H19NO3S — CID 22356826

IUPAC1-(2-phenylmethoxyphenyl)propane-1-sulfonamide
SMILESCCC(c1ccccc1OCc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C16H19NO3S/c1-2-16(21(17,18)19)14-10-6-7-11-15(14)20-12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H2,17,18,19)
InChIKeyGYZBNOVOWRDXQJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds6

About 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide

1-(2-phenylmethoxyphenyl)propane-1-sulfonamide (PubChem CID 22356826) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-(2-phenylmethoxyphenyl)propane-1-sulfonamide
PubChem CID22356826
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-(2-phenylmethoxyphenyl)propane-1-sulfonamide
SMILESCCC(c1ccccc1OCc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C16H19NO3S/c1-2-16(21(17,18)19)14-10-6-7-11-15(14)20-12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H2,17,18,19)
InChIKeyGYZBNOVOWRDXQJ-UHFFFAOYSA-N
XLogP3.01
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
1-(2-amino-3-phenylmethoxyphenyl)propane-1-thiol
CID 141043165
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659398

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide?
The IUPAC name of 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide (CID 22356826) is 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide is CCC(c1ccccc1OCc1ccccc1)S(N)(=O)=O.
What is the InChIKey of 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide?
The InChIKey is GYZBNOVOWRDXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-16(21(17,18)19)14-10-6-7-11-15(14)20-12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide?
1-(2-phenylmethoxyphenyl)propane-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 22356826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).