3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide

C11H15Cl2NO2S — CID 8893168

IUPAC3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2S/c1-3-4-8(2)14-17(15,16)9-5-6-10(12)11(13)7-9/h5-8,14H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyNZLKFZJVGGWJED-QMMMGPOBSA-N
MW296.22 g/mol
LogP3.46
Rot. Bonds5

About 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide

3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide (PubChem CID 8893168) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
PubChem CID8893168
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2S/c1-3-4-8(2)14-17(15,16)9-5-6-10(12)11(13)7-9/h5-8,14H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyNZLKFZJVGGWJED-QMMMGPOBSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
4-chloro-N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046336
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 115330116
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
3-(aminomethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046576

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide (CID 8893168) is 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide is CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide?
The InChIKey is NZLKFZJVGGWJED-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-3-4-8(2)14-17(15,16)9-5-6-10(12)11(13)7-9/h5-8,14H,3-4H2,1-2H3/t8-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide?
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide has a molecular weight of 296.22 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 8893168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).