4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide

C12H16BrCl2NO2S — CID 93302282

IUPAC4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO2S/c1-7(2)8(3)16(4)19(17,18)12-10(14)5-9(13)6-11(12)15/h5-8H,1-4H3/t8-/m0/s1
InChIKeyJJDLSOCNYGDQTH-QMMMGPOBSA-N
MW389.14 g/mol
LogP4.42
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide

4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide (PubChem CID 93302282) has the molecular formula C12H16BrCl2NO2S and a molecular weight of 389.14 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
PubChem CID93302282
Molecular FormulaC12H16BrCl2NO2S
Molecular Weight389.14 g/mol
Exact Mass386.95
IUPAC Name4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO2S/c1-7(2)8(3)16(4)19(17,18)12-10(14)5-9(13)6-11(12)15/h5-8H,1-4H3/t8-/m0/s1
InChIKeyJJDLSOCNYGDQTH-QMMMGPOBSA-N
XLogP4.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide (CID 93302282) is 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide is CC(C)[C@H](C)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide?
The InChIKey is JJDLSOCNYGDQTH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16BrCl2NO2S/c1-7(2)8(3)16(4)19(17,18)12-10(14)5-9(13)6-11(12)15/h5-8H,1-4H3/t8-/m0/s1.
What are the key properties of 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide has a molecular weight of 389.14 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93302282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).