4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide

C12H16BrCl2NO2S — CID 60639771

IUPAC4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO2S/c1-3-5-16(6-4-2)19(17,18)12-10(14)7-9(13)8-11(12)15/h7-8H,3-6H2,1-2H3
InChIKeyICGVNHANYJUTII-UHFFFAOYSA-N
MW389.14 g/mol
LogP4.57
Rot. Bonds6

About 4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide

4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide (PubChem CID 60639771) has the molecular formula C12H16BrCl2NO2S and a molecular weight of 389.14 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
PubChem CID60639771
Molecular FormulaC12H16BrCl2NO2S
Molecular Weight389.14 g/mol
Exact Mass386.95
IUPAC Name4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO2S/c1-3-5-16(6-4-2)19(17,18)12-10(14)7-9(13)8-11(12)15/h7-8H,3-6H2,1-2H3
InChIKeyICGVNHANYJUTII-UHFFFAOYSA-N
XLogP4.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.14
LogP ≤ 54.57
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,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide (CID 60639771) is 4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide?
The InChIKey is ICGVNHANYJUTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrCl2NO2S/c1-3-5-16(6-4-2)19(17,18)12-10(14)7-9(13)8-11(12)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide?
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide has a molecular weight of 389.14 g/mol, XLogP of 4.57, 6 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,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 60639771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).