[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol

C11H18N2O3S — CID 115969766

IUPAC[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
SMILESCC(C)NS(=O)(=O)NCc1cccc(CO)c1
InChIInChI=1S/C11H18N2O3S/c1-9(2)13-17(15,16)12-7-10-4-3-5-11(6-10)8-14/h3-6,9,12-14H,7-8H2,1-2H3
InChIKeyYTBPKBTZTHBKIV-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.51
Rot. Bonds6

About [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol

[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol (PubChem CID 115969766) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
PubChem CID115969766
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol
SMILESCC(C)NS(=O)(=O)NCc1cccc(CO)c1
InChIInChI=1S/C11H18N2O3S/c1-9(2)13-17(15,16)12-7-10-4-3-5-11(6-10)8-14/h3-6,9,12-14H,7-8H2,1-2H3
InChIKeyYTBPKBTZTHBKIV-UHFFFAOYSA-N
XLogP0.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 75387120
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide
CID 125435236
[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
CID 107230378
[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol
CID 107232078
3-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230406
1-[3-(hydroxymethyl)phenyl]-N-pentan-3-ylmethanesulfonamide
CID 114132230
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
ethyl 2-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]acetate
CID 63311718

Frequently Asked Questions

What is the IUPAC name of [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol (CID 115969766) is [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol is CC(C)NS(=O)(=O)NCc1cccc(CO)c1.
What is the InChIKey of [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol?
The InChIKey is YTBPKBTZTHBKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(2)13-17(15,16)12-7-10-4-3-5-11(6-10)8-14/h3-6,9,12-14H,7-8H2,1-2H3.
What are the key properties of [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol?
[3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol has a molecular weight of 258.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(propan-2-ylsulfamoylamino)methyl]phenyl]methanol is sourced from PubChem (CID 115969766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).