3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol

C11H14N2O4S — CID 114811863

IUPAC3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
SMILESCNS(=O)(=O)Nc1cc(C#CCO)ccc1OC
InChIInChI=1S/C11H14N2O4S/c1-12-18(15,16)13-10-8-9(4-3-7-14)5-6-11(10)17-2/h5-6,8,12-14H,7H2,1-2H3
InChIKeySLDFDIJZDWXLPV-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.08
Rot. Bonds4

About 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol

3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol (PubChem CID 114811863) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
PubChem CID114811863
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
SMILESCNS(=O)(=O)Nc1cc(C#CCO)ccc1OC
InChIInChI=1S/C11H14N2O4S/c1-12-18(15,16)13-10-8-9(4-3-7-14)5-6-11(10)17-2/h5-6,8,12-14H,7H2,1-2H3
InChIKeySLDFDIJZDWXLPV-UHFFFAOYSA-N
XLogP-0.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
CID 60799682
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-methylbenzenesulfonamide
CID 60823493
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 60824418
1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea
CID 62700814
N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide
CID 114875807
3-[4-(ethylsulfamoylamino)-3-methylphenyl]prop-2-yn-1-ol
CID 114811692
3-[3-ethyl-4-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812002
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 60822877
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 60824267
methyl 2-[[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]sulfamoyl]acetate
CID 61456845
5-(3-aminoprop-1-ynyl)-2-methoxy-N-methylbenzenesulfonamide
CID 54926911

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol (CID 114811863) is 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol is CNS(=O)(=O)Nc1cc(C#CCO)ccc1OC.
What is the InChIKey of 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The InChIKey is SLDFDIJZDWXLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-12-18(15,16)13-10-8-9(4-3-7-14)5-6-11(10)17-2/h5-6,8,12-14H,7H2,1-2H3.
What are the key properties of 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol?
3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol has a molecular weight of 270.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 114811863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).