N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide

C25H23NO2S — CID 147613682

IUPACN-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3ccc(C)cc3cc2Cc2ccccc2)cc1
InChIInChI=1S/C25H23NO2S/c1-18-9-12-24(13-10-18)29(27,28)26-25-17-21-11-8-19(2)14-22(21)16-23(25)15-20-6-4-3-5-7-20/h3-14,16-17,26H,15H2,1-2H3
InChIKeyGCMLVIDDVYMTCR-UHFFFAOYSA-N
MW401.53 g/mol
LogP5.85
Rot. Bonds5

About N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide

N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide (PubChem CID 147613682) has the molecular formula C25H23NO2S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide
PubChem CID147613682
Molecular FormulaC25H23NO2S
Molecular Weight401.53 g/mol
Exact Mass401.14
IUPAC NameN-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3ccc(C)cc3cc2Cc2ccccc2)cc1
InChIInChI=1S/C25H23NO2S/c1-18-9-12-24(13-10-18)29(27,28)26-25-17-21-11-8-19(2)14-22(21)16-23(25)15-20-6-4-3-5-7-20/h3-14,16-17,26H,15H2,1-2H3
InChIKeyGCMLVIDDVYMTCR-UHFFFAOYSA-N
XLogP5.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide (CID 147613682) is N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3ccc(C)cc3cc2Cc2ccccc2)cc1.
What is the InChIKey of N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is GCMLVIDDVYMTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2S/c1-18-9-12-24(13-10-18)29(27,28)26-25-17-21-11-8-19(2)14-22(21)16-23(25)15-20-6-4-3-5-7-20/h3-14,16-17,26H,15H2,1-2H3.
What are the key properties of N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide?
N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-6-methylnaphthalen-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 147613682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).