N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide

C12H17NO4S — CID 55031487

IUPACN-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)C1CCOCC1
InChIInChI=1S/C12H17NO4S/c14-9-10-2-1-3-11(8-10)13-18(15,16)12-4-6-17-7-5-12/h1-3,8,12-14H,4-7,9H2
InChIKeyHDHNWJJKHVQQLY-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.10
Rot. Bonds4

About N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide

N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide (PubChem CID 55031487) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
PubChem CID55031487
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)C1CCOCC1
InChIInChI=1S/C12H17NO4S/c14-9-10-2-1-3-11(8-10)13-18(15,16)12-4-6-17-7-5-12/h1-3,8,12-14H,4-7,9H2
InChIKeyHDHNWJJKHVQQLY-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)oxane-4-sulfonamide
CID 62048626
N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047897
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
2-chloro-N-[3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 107651406
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide
CID 168594420
N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
CID 62049563
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60661387
2-fluoro-N'-hydroxy-5-(oxan-4-ylsulfonylamino)benzenecarboximidamide
CID 76939387
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide (CID 55031487) is N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide is O=S(=O)(Nc1cccc(CO)c1)C1CCOCC1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide?
The InChIKey is HDHNWJJKHVQQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c14-9-10-2-1-3-11(8-10)13-18(15,16)12-4-6-17-7-5-12/h1-3,8,12-14H,4-7,9H2.
What are the key properties of N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide?
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide is sourced from PubChem (CID 55031487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).