N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide

C17H19FN2O2S — CID 120722427

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCCc3cc(N)ccc32)c1F
InChIInChI=1S/C17H19FN2O2S/c1-11-4-2-7-16(17(11)18)23(21,22)20-15-6-3-5-12-10-13(19)8-9-14(12)15/h2,4,7-10,15,20H,3,5-6,19H2,1H3
InChIKeySAEKFRYGOKYRSJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.07
Rot. Bonds3

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 120722427) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide
PubChem CID120722427
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCCc3cc(N)ccc32)c1F
InChIInChI=1S/C17H19FN2O2S/c1-11-4-2-7-16(17(11)18)23(21,22)20-15-6-3-5-12-10-13(19)8-9-14(12)15/h2,4,7-10,15,20H,3,5-6,19H2,1H3
InChIKeySAEKFRYGOKYRSJ-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120722480
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 120722372
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
CID 120721939
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide
CID 120722412
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120721935
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride
CID 120722180
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 120722333
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide (CID 120722427) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC2CCCc3cc(N)ccc32)c1F.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is SAEKFRYGOKYRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-11-4-2-7-16(17(11)18)23(21,22)20-15-6-3-5-12-10-13(19)8-9-14(12)15/h2,4,7-10,15,20H,3,5-6,19H2,1H3.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 120722427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).