N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide

C12H20N2O3S — CID 64540425

IUPACN-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(N)C(C)O)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-10-4-6-11(7-5-10)18(16,17)14-8-12(13)9(2)15/h4-7,9,12,14-15H,3,8,13H2,1-2H3
InChIKeyXDHCUBYCPVHBFQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.24
Rot. Bonds6

About N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide

N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide (PubChem CID 64540425) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide
PubChem CID64540425
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(N)C(C)O)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-10-4-6-11(7-5-10)18(16,17)14-8-12(13)9(2)15/h4-7,9,12,14-15H,3,8,13H2,1-2H3
InChIKeyXDHCUBYCPVHBFQ-UHFFFAOYSA-N
XLogP0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64541271
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-(2-amino-3-methylbutyl)-4-(cyanomethyl)benzenesulfonamide
CID 79196541
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide (CID 64540425) is N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(N)C(C)O)cc1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide?
The InChIKey is XDHCUBYCPVHBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-10-4-6-11(7-5-10)18(16,17)14-8-12(13)9(2)15/h4-7,9,12,14-15H,3,8,13H2,1-2H3.
What are the key properties of N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide?
N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 64540425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).