N-pentan-2-yl-1-phenylmethanesulfonamide

C12H19NO2S — CID 2886094

IUPACN-pentan-2-yl-1-phenylmethanesulfonamide
SMILESCCCC(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-3-7-11(2)13-16(14,15)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3
InChIKeyCHJFBHIECXPTTH-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.29
Rot. Bonds6

About N-pentan-2-yl-1-phenylmethanesulfonamide

N-pentan-2-yl-1-phenylmethanesulfonamide (PubChem CID 2886094) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-pentan-2-yl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-pentan-2-yl-1-phenylmethanesulfonamide
PubChem CID2886094
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-pentan-2-yl-1-phenylmethanesulfonamide
SMILESCCCC(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H19NO2S/c1-3-7-11(2)13-16(14,15)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3
InChIKeyCHJFBHIECXPTTH-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-1-phenylmethanesulfonamide?
The IUPAC name of N-pentan-2-yl-1-phenylmethanesulfonamide (CID 2886094) is N-pentan-2-yl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-pentan-2-yl-1-phenylmethanesulfonamide?
The canonical SMILES for N-pentan-2-yl-1-phenylmethanesulfonamide is CCCC(C)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-pentan-2-yl-1-phenylmethanesulfonamide?
The InChIKey is CHJFBHIECXPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-7-11(2)13-16(14,15)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3.
What are the key properties of N-pentan-2-yl-1-phenylmethanesulfonamide?
N-pentan-2-yl-1-phenylmethanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1-phenylmethanesulfonamide is sourced from PubChem (CID 2886094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).