N-[4-(2-methylpropyl)phenyl]ethanesulfonamide

C12H19NO2S — CID 110776672

IUPACN-[4-(2-methylpropyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)13-12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyPDOGMTCFGXVORS-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.65
Rot. Bonds5

About N-[4-(2-methylpropyl)phenyl]ethanesulfonamide

N-[4-(2-methylpropyl)phenyl]ethanesulfonamide (PubChem CID 110776672) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[4-(2-methylpropyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylpropyl)phenyl]ethanesulfonamide
PubChem CID110776672
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[4-(2-methylpropyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)13-12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyPDOGMTCFGXVORS-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 43508080
N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 3668419
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
N-[4-(chloromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 65031169
N-[4-(3-aminopropyl)phenyl]ethanesulfonamide
CID 28754709
CID 174697656
CID 174697656
N-[4-(1-cyclopropylethylamino)phenyl]ethanesulfonamide
CID 54866252
N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63834583

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2-methylpropyl)phenyl]ethanesulfonamide (CID 110776672) is N-[4-(2-methylpropyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-methylpropyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-methylpropyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(CC(C)C)cc1.
What is the InChIKey of N-[4-(2-methylpropyl)phenyl]ethanesulfonamide?
The InChIKey is PDOGMTCFGXVORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16(14,15)13-12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-[4-(2-methylpropyl)phenyl]ethanesulfonamide?
N-[4-(2-methylpropyl)phenyl]ethanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110776672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).