(1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene

C17H19FN2O4S2 — CID 46890264

IUPAC(1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESNS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C17H19FN2O4S2/c18-14-5-2-6-15(10-14)25(21,22)16-7-8-17-12(9-16)3-1-4-13(17)11-20-26(19,23)24/h2,5-10,13,20H,1,3-4,11H2,(H2,19,23,24)/t13-/m0/s1
InChIKeyUYKODFCCXHXWPO-ZDUSSCGKSA-N
MW398.48 g/mol
LogP1.87
Rot. Bonds5

About (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene

(1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 46890264) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID46890264
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name(1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESNS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C17H19FN2O4S2/c18-14-5-2-6-15(10-14)25(21,22)16-7-8-17-12(9-16)3-1-4-13(17)11-20-26(19,23)24/h2,5-10,13,20H,1,3-4,11H2,(H2,19,23,24)/t13-/m0/s1
InChIKeyUYKODFCCXHXWPO-ZDUSSCGKSA-N
XLogP1.87
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Landipirdine
CID 46220503
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 11515192
N-(6-benzenesulfonyl-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-guanidine
CID 11595360
(R)-N-[6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-methanesulfonamide
CID 11639865
N-[[(1R)-6-(benzenesulfonyl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 11682024
N'-[[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]ethanimidamide
CID 11688736
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]acetamide
CID 46889328
2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
CID 46889350
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-methoxyethanamine
CID 46889351
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 46889856
[6-(Benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methylurea
CID 46889858
[(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889890

Frequently Asked Questions

What is the IUPAC name of (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene (CID 46890264) is (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene is NS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UYKODFCCXHXWPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-14-5-2-6-15(10-14)25(21,22)16-7-8-17-12(9-16)3-1-4-13(17)11-20-26(19,23)24/h2,5-10,13,20H,1,3-4,11H2,(H2,19,23,24)/t13-/m0/s1.
What are the key properties of (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene?
(1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 398.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-(3-fluorophenyl)sulfonyl-1-[(sulfamoylamino)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 46890264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).