N-tert-butyl-N-phenylmethanesulfonamide

C11H17NO2S — CID 20626546

IUPACN-tert-butyl-N-phenylmethanesulfonamide
SMILESCC(C)(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-11(2,3)12(15(4,13)14)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyPMAOZUIRXIGQQU-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.25
Rot. Bonds2

About N-tert-butyl-N-phenylmethanesulfonamide

N-tert-butyl-N-phenylmethanesulfonamide (PubChem CID 20626546) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-tert-butyl-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-phenylmethanesulfonamide
PubChem CID20626546
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-tert-butyl-N-phenylmethanesulfonamide
SMILESCC(C)(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-11(2,3)12(15(4,13)14)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyPMAOZUIRXIGQQU-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-phenylmethanesulfonamide?
The IUPAC name of N-tert-butyl-N-phenylmethanesulfonamide (CID 20626546) is N-tert-butyl-N-phenylmethanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-phenylmethanesulfonamide?
The canonical SMILES for N-tert-butyl-N-phenylmethanesulfonamide is CC(C)(C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-phenylmethanesulfonamide?
The InChIKey is PMAOZUIRXIGQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)12(15(4,13)14)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of N-tert-butyl-N-phenylmethanesulfonamide?
N-tert-butyl-N-phenylmethanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-phenylmethanesulfonamide is sourced from PubChem (CID 20626546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).