2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide

C12H16Cl2N2O3S — CID 61127039

IUPAC2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC1CCCO1
InChIInChI=1S/C12H16Cl2N2O3S/c13-8-6-10(14)12(11(15)7-8)20(17,18)16-4-3-9-2-1-5-19-9/h6-7,9,16H,1-5,15H2
InChIKeySVOIFCHREOBRLQ-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide

2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 61127039) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID61127039
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC1CCCO1
InChIInChI=1S/C12H16Cl2N2O3S/c13-8-6-10(14)12(11(15)7-8)20(17,18)16-4-3-9-2-1-5-19-9/h6-7,9,16H,1-5,15H2
InChIKeySVOIFCHREOBRLQ-UHFFFAOYSA-N
XLogP2.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125686
3-amino-4-fluoro-2,6-dimethyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107325726
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
4-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 61300388
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide
CID 63359825
3-amino-4-nitro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 82846881
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485252
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 61127039) is 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC1CCCO1.
What is the InChIKey of 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SVOIFCHREOBRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c13-8-6-10(14)12(11(15)7-8)20(17,18)16-4-3-9-2-1-5-19-9/h6-7,9,16H,1-5,15H2.
What are the key properties of 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61127039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).