3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol

C10H12N2O3S — CID 114811667

IUPAC3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
SMILESCNS(=O)(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C10H12N2O3S/c1-11-16(14,15)12-10-6-2-4-9(8-10)5-3-7-13/h2,4,6,8,11-13H,7H2,1H3
InChIKeyOBGLTJGBKBUCCT-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.09
Rot. Bonds3

About 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol

3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol (PubChem CID 114811667) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
PubChem CID114811667
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
SMILESCNS(=O)(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C10H12N2O3S/c1-11-16(14,15)12-10-6-2-4-9(8-10)5-3-7-13/h2,4,6,8,11-13H,7H2,1H3
InChIKeyOBGLTJGBKBUCCT-UHFFFAOYSA-N
XLogP-0.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811666
3-(3-aminoprop-1-ynyl)-N-(methylsulfamoyl)aniline
CID 114812051
methyl 2-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]acetate
CID 61456773
4-[3-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816397
methyl 4-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]butanoate
CID 61457345
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001
ethyl 3-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]propanoate
CID 61459097
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60812914
3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811863
ethyl N-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfamoyl]carbamate
CID 114465642
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-(3-methylphenyl)urea
CID 60804851
N-[3-(3-aminoprop-1-ynyl)phenyl]methanesulfonamide;hydrochloride
CID 42961325

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol (CID 114811667) is 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol is CNS(=O)(=O)Nc1cccc(C#CCO)c1.
What is the InChIKey of 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The InChIKey is OBGLTJGBKBUCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-11-16(14,15)12-10-6-2-4-9(8-10)5-3-7-13/h2,4,6,8,11-13H,7H2,1H3.
What are the key properties of 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol?
3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol has a molecular weight of 240.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 114811667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).