4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

C20H20N2O3S — CID 20917438

IUPAC4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)cc2)on1
InChIInChI=1S/C20H20N2O3S/c1-14-13-20(25-21-14)16-9-11-17(12-10-16)26(23,24)22-19-8-4-6-15-5-2-3-7-18(15)19/h4,6,8-13,22H,2-3,5,7H2,1H3
InChIKeyCIJHOSAEPBGLCS-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.33
Rot. Bonds4

About 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide

4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (PubChem CID 20917438) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
PubChem CID20917438
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)cc2)on1
InChIInChI=1S/C20H20N2O3S/c1-14-13-20(25-21-14)16-9-11-17(12-10-16)26(23,24)22-19-8-4-6-15-5-2-3-7-18(15)19/h4,6,8-13,22H,2-3,5,7H2,1H3
InChIKeyCIJHOSAEPBGLCS-UHFFFAOYSA-N
XLogP4.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide (CID 20917438) is 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)cc2)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is CIJHOSAEPBGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-13-20(25-21-14)16-9-11-17(12-10-16)26(23,24)22-19-8-4-6-15-5-2-3-7-18(15)19/h4,6,8-13,22H,2-3,5,7H2,1H3.
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide?
4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 20917438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).