4-amino-N-ethylbenzenesulfonamide;molecular hydrogen

C8H14N2O2S — CID 143629087

IUPAC4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
SMILESCCNS(=O)(=O)c1ccc(N)cc1.[H][H]
InChIInChI=1S/C8H12N2O2S.H2/c1-2-10-13(11,12)8-5-3-7(9)4-6-8;/h3-6,10H,2,9H2,1H3;1H
InChIKeyRYMXIIAYVQSVEG-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.81
Rot. Bonds3

About 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen

4-amino-N-ethylbenzenesulfonamide;molecular hydrogen (PubChem CID 143629087) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
PubChem CID143629087
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
SMILESCCNS(=O)(=O)c1ccc(N)cc1.[H][H]
InChIInChI=1S/C8H12N2O2S.H2/c1-2-10-13(11,12)8-5-3-7(9)4-6-8;/h3-6,10H,2,9H2,1H3;1H
InChIKeyRYMXIIAYVQSVEG-UHFFFAOYSA-N
XLogP0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
N-ethyl-4-(methylideneamino)benzenesulfonamide
CID 163819248
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen (CID 143629087) is 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen is CCNS(=O)(=O)c1ccc(N)cc1.[H][H].
What is the InChIKey of 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen?
The InChIKey is RYMXIIAYVQSVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.H2/c1-2-10-13(11,12)8-5-3-7(9)4-6-8;/h3-6,10H,2,9H2,1H3;1H.
What are the key properties of 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen?
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen has a molecular weight of 202.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 143629087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).