1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene

C9H14N2O3S — CID 61018712

IUPAC1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
SMILESCN(C)S(=O)(=O)NCc1cccc(O)c1
InChIInChI=1S/C9H14N2O3S/c1-11(2)15(13,14)10-7-8-4-3-5-9(12)6-8/h3-6,10,12H,7H2,1-2H3
InChIKeyZGKWRXXWPDNYCU-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.29
Rot. Bonds4

About 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene

1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene (PubChem CID 61018712) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene.

Molecular Properties

Compound Name1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
PubChem CID61018712
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
SMILESCN(C)S(=O)(=O)NCc1cccc(O)c1
InChIInChI=1S/C9H14N2O3S/c1-11(2)15(13,14)10-7-8-4-3-5-9(12)6-8/h3-6,10,12H,7H2,1-2H3
InChIKeyZGKWRXXWPDNYCU-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-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
1-[3-(dimethylsulfamoylamino)propyl]-3-hydroxybenzene
CID 110667288
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539
3-[(2-methoxyethylsulfamoylamino)methyl]phenol
CID 114815535
N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
CID 63290144
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
1-(chloromethyl)-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 65032301
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene?
The IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene (CID 61018712) is 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene.
What is the SMILES notation for 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene?
The canonical SMILES for 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene is CN(C)S(=O)(=O)NCc1cccc(O)c1.
What is the InChIKey of 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene?
The InChIKey is ZGKWRXXWPDNYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-11(2)15(13,14)10-7-8-4-3-5-9(12)6-8/h3-6,10,12H,7H2,1-2H3.
What are the key properties of 1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene?
1-[(dimethylsulfamoylamino)methyl]-3-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]-3-hydroxybenzene is sourced from PubChem (CID 61018712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).