N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide

C17H21NO2S — CID 668963

IUPACN-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C17H21NO2S/c1-14(2)18(13-16-7-5-4-6-8-16)21(19,20)17-11-9-15(3)10-12-17/h4-12,14H,13H2,1-3H3
InChIKeyIPKYAISLSVOYDX-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.59
Rot. Bonds5

About N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide

N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 668963) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID668963
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C17H21NO2S/c1-14(2)18(13-16-7-5-4-6-8-16)21(19,20)17-11-9-15(3)10-12-17/h4-12,14H,13H2,1-3H3
InChIKeyIPKYAISLSVOYDX-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide (CID 668963) is N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is IPKYAISLSVOYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14(2)18(13-16-7-5-4-6-8-16)21(19,20)17-11-9-15(3)10-12-17/h4-12,14H,13H2,1-3H3.
What are the key properties of N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide?
N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 668963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).