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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Related Compounds

4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 51888307
4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide
CID 51889727
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 115754612
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111099
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 60639715
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide
CID 24555937
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817485

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).