4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile

C11H13N3O4S — CID 79674690

IUPAC4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2ccc(O)c(N)c2)CCO1
InChIInChI=1S/C11H13N3O4S/c12-6-8-7-14(3-4-18-8)19(16,17)9-1-2-11(15)10(13)5-9/h1-2,5,8,15H,3-4,7,13H2
InChIKeyIEQRVAQUIVKHDB-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.11
Rot. Bonds2

About 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile

4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile (PubChem CID 79674690) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile
PubChem CID79674690
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2ccc(O)c(N)c2)CCO1
InChIInChI=1S/C11H13N3O4S/c12-6-8-7-14(3-4-18-8)19(16,17)9-1-2-11(15)10(13)5-9/h1-2,5,8,15H,3-4,7,13H2
InChIKeyIEQRVAQUIVKHDB-UHFFFAOYSA-N
XLogP-0.11
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-4-nitrophenyl)sulfonylmorpholine-2-carbonitrile
CID 82847459
3-(2-cyanomorpholin-4-yl)sulfonylbenzoic acid
CID 79675140
4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile
CID 78946042
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237
4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carbonitrile
CID 79675035
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215
1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol
CID 29052125
4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79680999
4-(5-amino-4-bromo-2-fluorophenyl)sulfonylmorpholine-2-carbonitrile
CID 116530479
2-amino-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 114796751
2-amino-4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenol
CID 103530304
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile (CID 79674690) is 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile is N#CC1CN(S(=O)(=O)c2ccc(O)c(N)c2)CCO1.
What is the InChIKey of 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile?
The InChIKey is IEQRVAQUIVKHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c12-6-8-7-14(3-4-18-8)19(16,17)9-1-2-11(15)10(13)5-9/h1-2,5,8,15H,3-4,7,13H2.
What are the key properties of 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile?
4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile has a molecular weight of 283.31 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 79674690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).