2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

C12H17ClN2O3S — CID 82741144

IUPAC2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8-11(6-7-18-8)15(2)19(16,17)12-9(13)4-3-5-10(12)14/h3-5,8,11H,6-7,14H2,1-2H3
InChIKeyCUJZWSIIIKEYFE-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82741144) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82741144
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8-11(6-7-18-8)15(2)19(16,17)12-9(13)4-3-5-10(12)14/h3-5,8,11H,6-7,14H2,1-2H3
InChIKeyCUJZWSIIIKEYFE-UHFFFAOYSA-N
XLogP1.72
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82741144) is 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1N(C)S(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is CUJZWSIIIKEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8-11(6-7-18-8)15(2)19(16,17)12-9(13)4-3-5-10(12)14/h3-5,8,11H,6-7,14H2,1-2H3.
What are the key properties of 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82741144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).