2-amino-N-(4-butylphenyl)ethanesulfonamide

C12H20N2O2S — CID 43378477

IUPAC2-amino-N-(4-butylphenyl)ethanesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)CCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-2-3-4-11-5-7-12(8-6-11)14-17(15,16)10-9-13/h5-8,14H,2-4,9-10,13H2,1H3
InChIKeyDJPBDHSSUVUNAR-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds7

About 2-amino-N-(4-butylphenyl)ethanesulfonamide

2-amino-N-(4-butylphenyl)ethanesulfonamide (PubChem CID 43378477) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-N-(4-butylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-butylphenyl)ethanesulfonamide
PubChem CID43378477
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-amino-N-(4-butylphenyl)ethanesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)CCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-2-3-4-11-5-7-12(8-6-11)14-17(15,16)10-9-13/h5-8,14H,2-4,9-10,13H2,1H3
InChIKeyDJPBDHSSUVUNAR-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
N-[4-(3-aminopropyl)phenyl]ethanesulfonamide
CID 28754709
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106026055
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-[4-[(dimethylamino)methyl]phenyl]propane-1-sulfonamide
CID 64585715
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-butylphenyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(4-butylphenyl)ethanesulfonamide (CID 43378477) is 2-amino-N-(4-butylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(4-butylphenyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(4-butylphenyl)ethanesulfonamide is CCCCc1ccc(NS(=O)(=O)CCN)cc1.
What is the InChIKey of 2-amino-N-(4-butylphenyl)ethanesulfonamide?
The InChIKey is DJPBDHSSUVUNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-3-4-11-5-7-12(8-6-11)14-17(15,16)10-9-13/h5-8,14H,2-4,9-10,13H2,1H3.
What are the key properties of 2-amino-N-(4-butylphenyl)ethanesulfonamide?
2-amino-N-(4-butylphenyl)ethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-butylphenyl)ethanesulfonamide is sourced from PubChem (CID 43378477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).