N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide

C23H25NOS — CID 12867214

IUPACN-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide
SMILESO=S(c1ccccc1)N(Cc1cccc2ccccc12)C1CCCCC1
InChIInChI=1S/C23H25NOS/c25-26(22-15-5-2-6-16-22)24(21-13-3-1-4-14-21)18-20-12-9-11-19-10-7-8-17-23(19)20/h2,5-12,15-17,21H,1,3-4,13-14,18H2
InChIKeyUIBZGIPJMYYFLF-UHFFFAOYSA-N
MW363.53 g/mol
LogP5.70
Rot. Bonds5

About N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide

N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide (PubChem CID 12867214) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide
PubChem CID12867214
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC NameN-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide
SMILESO=S(c1ccccc1)N(Cc1cccc2ccccc12)C1CCCCC1
InChIInChI=1S/C23H25NOS/c25-26(22-15-5-2-6-16-22)24(21-13-3-1-4-14-21)18-20-12-9-11-19-10-7-8-17-23(19)20/h2,5-12,15-17,21H,1,3-4,13-14,18H2
InChIKeyUIBZGIPJMYYFLF-UHFFFAOYSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide?
The IUPAC name of N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide (CID 12867214) is N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide.
What is the SMILES notation for N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide?
The canonical SMILES for N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide is O=S(c1ccccc1)N(Cc1cccc2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide?
The InChIKey is UIBZGIPJMYYFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS/c25-26(22-15-5-2-6-16-22)24(21-13-3-1-4-14-21)18-20-12-9-11-19-10-7-8-17-23(19)20/h2,5-12,15-17,21H,1,3-4,13-14,18H2.
What are the key properties of N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide?
N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide has a molecular weight of 363.53 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(naphthalen-1-ylmethyl)benzenesulfinamide is sourced from PubChem (CID 12867214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).