1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene

C9H14N2O3S — CID 115753679

IUPAC1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
SMILESCN(C)S(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C9H14N2O3S/c1-11(2)15(13,14)10-7-8-3-5-9(12)6-4-8/h3-6,10,12H,7H2,1-2H3
InChIKeyHHLJXQORQQWHBU-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.29
Rot. Bonds4

About 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene

1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene (PubChem CID 115753679) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene.

Molecular Properties

Compound Name1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
PubChem CID115753679
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
SMILESCN(C)S(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C9H14N2O3S/c1-11(2)15(13,14)10-7-8-3-5-9(12)6-4-8/h3-6,10,12H,7H2,1-2H3
InChIKeyHHLJXQORQQWHBU-UHFFFAOYSA-N
XLogP0.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542
N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide
CID 115753665
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825
1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110781232
1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992275
2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid
CID 114331325
1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 54947518
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 54904084

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene?
The IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene (CID 115753679) is 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene.
What is the SMILES notation for 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene?
The canonical SMILES for 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene is CN(C)S(=O)(=O)NCc1ccc(O)cc1.
What is the InChIKey of 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene?
The InChIKey is HHLJXQORQQWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-11(2)15(13,14)10-7-8-3-5-9(12)6-4-8/h3-6,10,12H,7H2,1-2H3.
What are the key properties of 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene?
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene has a molecular weight of 230.29 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene is sourced from PubChem (CID 115753679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).