4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide

C12H16ClNO3S — CID 115698761

IUPAC4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-10(2)9-17-8-7-14-18(15,16)12-5-3-11(13)4-6-12/h3-6,14H,1,7-9H2,2H3
InChIKeyYTERKHMIMWYCFQ-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.21
Rot. Bonds7

About 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide

4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide (PubChem CID 115698761) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
PubChem CID115698761
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-10(2)9-17-8-7-14-18(15,16)12-5-3-11(13)4-6-12/h3-6,14H,1,7-9H2,2H3
InChIKeyYTERKHMIMWYCFQ-UHFFFAOYSA-N
XLogP2.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
CID 114468845
3-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698727
4-amino-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464967
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115698833
5-amino-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464982
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 114469007
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide
CID 139969449
2-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitrobenzenesulfonamide
CID 115698751
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469314
2-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698735
N-[2-(2-methylprop-2-enoxy)ethyl]-4-propylsulfonylaniline
CID 114468837

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide (CID 115698761) is 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide is C=C(C)COCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide?
The InChIKey is YTERKHMIMWYCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-10(2)9-17-8-7-14-18(15,16)12-5-3-11(13)4-6-12/h3-6,14H,1,7-9H2,2H3.
What are the key properties of 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide?
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 115698761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).