N-(2-aminoethyl)-4-ethylbenzenesulfonamide

C10H16N2O2S — CID 28753957

IUPACN-(2-aminoethyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-9-3-5-10(6-4-9)15(13,14)12-8-7-11/h3-6,12H,2,7-8,11H2,1H3
InChIKeyVUUDUTOREYVGSK-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.49
Rot. Bonds5

About N-(2-aminoethyl)-4-ethylbenzenesulfonamide

N-(2-aminoethyl)-4-ethylbenzenesulfonamide (PubChem CID 28753957) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-ethylbenzenesulfonamide
PubChem CID28753957
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-aminoethyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-9-3-5-10(6-4-9)15(13,14)12-8-7-11/h3-6,12H,2,7-8,11H2,1H3
InChIKeyVUUDUTOREYVGSK-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
CID 90392756
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574101
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-ethylbenzenesulfonamide (CID 28753957) is N-(2-aminoethyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-ethylbenzenesulfonamide?
The InChIKey is VUUDUTOREYVGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-9-3-5-10(6-4-9)15(13,14)12-8-7-11/h3-6,12H,2,7-8,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-4-ethylbenzenesulfonamide?
N-(2-aminoethyl)-4-ethylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 28753957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).