N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide

C15H25NO2S — CID 2915412

IUPACN-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H25NO2S/c1-13(2)8-7-9-14(3)16-19(17,18)12-15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,7-9,12H2,1-3H3
InChIKeyIWXCTWNGWBUVNP-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.32
Rot. Bonds8

About N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide

N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide (PubChem CID 2915412) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide
PubChem CID2915412
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H25NO2S/c1-13(2)8-7-9-14(3)16-19(17,18)12-15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,7-9,12H2,1-3H3
InChIKeyIWXCTWNGWBUVNP-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide (CID 2915412) is N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide is CC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide?
The InChIKey is IWXCTWNGWBUVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-13(2)8-7-9-14(3)16-19(17,18)12-15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,7-9,12H2,1-3H3.
What are the key properties of N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide?
N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 2915412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).