7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol

C14H16N2O3S — CID 154286780

IUPAC7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol
SMILESNc1ccc2cc(S(=O)(=O)N3CCCC3)cc(O)c2c1
InChIInChI=1S/C14H16N2O3S/c15-11-4-3-10-7-12(9-14(17)13(10)8-11)20(18,19)16-5-1-2-6-16/h3-4,7-9,17H,1-2,5-6,15H2
InChIKeyCSQRNLRWOPPMRV-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.91
Rot. Bonds2

About 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol

7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol (PubChem CID 154286780) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol.

Molecular Properties

Compound Name7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol
PubChem CID154286780
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol
SMILESNc1ccc2cc(S(=O)(=O)N3CCCC3)cc(O)c2c1
InChIInChI=1S/C14H16N2O3S/c15-11-4-3-10-7-12(9-14(17)13(10)8-11)20(18,19)16-5-1-2-6-16/h3-4,7-9,17H,1-2,5-6,15H2
InChIKeyCSQRNLRWOPPMRV-UHFFFAOYSA-N
XLogP1.91
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 22766301
6-amino-4-hydroxy-N-phenylnaphthalene-2-sulfonamide
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3-(azepan-1-ylsulfonyl)aniline
CID 5004919
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
3-(azetidin-1-ylsulfonyl)aniline
CID 130546539
7-aminonaphthalene-1,3-disulfonic acid;tetrahydrate
CID 76962518
3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
CID 64852644
CID 87753732
CID 87753732
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
5-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 82222980
6-piperidin-1-ylsulfonylchromene-2-thione
CID 86182230

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol?
The IUPAC name of 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol (CID 154286780) is 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol.
What is the SMILES notation for 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol?
The canonical SMILES for 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol is Nc1ccc2cc(S(=O)(=O)N3CCCC3)cc(O)c2c1.
What is the InChIKey of 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol?
The InChIKey is CSQRNLRWOPPMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-11-4-3-10-7-12(9-14(17)13(10)8-11)20(18,19)16-5-1-2-6-16/h3-4,7-9,17H,1-2,5-6,15H2.
What are the key properties of 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol?
7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol has a molecular weight of 292.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-pyrrolidin-1-ylsulfonylnaphthalen-1-ol is sourced from PubChem (CID 154286780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).