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

C19H23FN2O4S2 — CID 46890267

IUPAC(1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
SMILESCN(C)S(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C19H23FN2O4S2/c1-22(2)28(25,26)21-13-15-6-3-5-14-11-18(9-10-19(14)15)27(23,24)17-8-4-7-16(20)12-17/h4,7-12,15,21H,3,5-6,13H2,1-2H3/t15-/m0/s1
InChIKeyNCRVECLWZWNJKY-HNNXBMFYSA-N
MW426.54 g/mol
LogP2.47
Rot. Bonds6

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

(1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 46890267) has the molecular formula C19H23FN2O4S2 and a molecular weight of 426.54 g/mol. Its IUPAC name is (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
PubChem CID46890267
Molecular FormulaC19H23FN2O4S2
Molecular Weight426.54 g/mol
Exact Mass426.11
IUPAC Name(1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
SMILESCN(C)S(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C19H23FN2O4S2/c1-22(2)28(25,26)21-13-15-6-3-5-14-11-18(9-10-19(14)15)27(23,24)17-8-4-7-16(20)12-17/h4,7-12,15,21H,3,5-6,13H2,1-2H3/t15-/m0/s1
InChIKeyNCRVECLWZWNJKY-HNNXBMFYSA-N
XLogP2.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene (CID 46890267) is (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene is CN(C)S(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NCRVECLWZWNJKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23FN2O4S2/c1-22(2)28(25,26)21-13-15-6-3-5-14-11-18(9-10-19(14)15)27(23,24)17-8-4-7-16(20)12-17/h4,7-12,15,21H,3,5-6,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene?
(1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 426.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(dimethylsulfamoylamino)methyl]-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 46890267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).