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

C11H14N2O3S — CID 114811666

IUPAC3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
SMILESCCNS(=O)(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C11H14N2O3S/c1-2-12-17(15,16)13-11-7-3-5-10(9-11)6-4-8-14/h3,5,7,9,12-14H,2,8H2,1H3
InChIKeyGBXFBFGYAHBPKN-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.30
Rot. Bonds4

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

3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol (PubChem CID 114811666) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
PubChem CID114811666
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
SMILESCCNS(=O)(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C11H14N2O3S/c1-2-12-17(15,16)13-11-7-3-5-10(9-11)6-4-8-14/h3,5,7,9,12-14H,2,8H2,1H3
InChIKeyGBXFBFGYAHBPKN-UHFFFAOYSA-N
XLogP0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.30
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-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811667
3-[3-ethyl-4-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812002
3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
CID 102821654
3-[4-(ethylsulfamoylamino)-3-methylphenyl]prop-2-yn-1-ol
CID 114811692
4-[3-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816397
methyl 2-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]acetate
CID 61456773
ethyl 3-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]propanoate
CID 61459097
3-(3-aminoprop-1-ynyl)-N-(methylsulfamoyl)aniline
CID 114812051
methyl 4-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]butanoate
CID 61457345
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
ethyl N-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfamoyl]carbamate
CID 114465642
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol (CID 114811666) is 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol is CCNS(=O)(=O)Nc1cccc(C#CCO)c1.
What is the InChIKey of 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The InChIKey is GBXFBFGYAHBPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-12-17(15,16)13-11-7-3-5-10(9-11)6-4-8-14/h3,5,7,9,12-14H,2,8H2,1H3.
What are the key properties of 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol?
3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol has a molecular weight of 254.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 114811666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).