2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide

C12H15Cl2NO2S — CID 97327429

IUPAC2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C12H15Cl2NO2S/c1-8(9-4-2-5-9)15-18(16,17)12-10(13)6-3-7-11(12)14/h3,6-9,15H,2,4-5H2,1H3/t8-/m0/s1
InChIKeyVPKSWWMYZNVSGB-QMMMGPOBSA-N
MW308.23 g/mol
LogP3.46
Rot. Bonds4

About 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide

2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide (PubChem CID 97327429) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide
PubChem CID97327429
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C12H15Cl2NO2S/c1-8(9-4-2-5-9)15-18(16,17)12-10(13)6-3-7-11(12)14/h3,6-9,15H,2,4-5H2,1H3/t8-/m0/s1
InChIKeyVPKSWWMYZNVSGB-QMMMGPOBSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(1-cyclobutylethyl)benzenesulfonamide
CID 75469798
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
3-N-(1-cyclobutylethyl)benzene-1,3-disulfonamide
CID 115767059
2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
CID 83170840
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 6922951

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide (CID 97327429) is 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1.
What is the InChIKey of 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide?
The InChIKey is VPKSWWMYZNVSGB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c1-8(9-4-2-5-9)15-18(16,17)12-10(13)6-3-7-11(12)14/h3,6-9,15H,2,4-5H2,1H3/t8-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide?
2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide has a molecular weight of 308.23 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide is sourced from PubChem (CID 97327429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).