4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide

C11H12BrCl2NO3S — CID 115754612

IUPAC4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H12BrCl2NO3S/c1-2-3-15(4-5-16)19(17,18)11-9(13)6-8(12)7-10(11)14/h2,6-7,16H,1,3-5H2
InChIKeyUYHARAAMKXVZAO-UHFFFAOYSA-N
MW389.10 g/mol
LogP2.92
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide

4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 115754612) has the molecular formula C11H12BrCl2NO3S and a molecular weight of 389.10 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID115754612
Molecular FormulaC11H12BrCl2NO3S
Molecular Weight389.10 g/mol
Exact Mass386.91
IUPAC Name4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H12BrCl2NO3S/c1-2-3-15(4-5-16)19(17,18)11-9(13)6-8(12)7-10(11)14/h2,6-7,16H,1,3-5H2
InChIKeyUYHARAAMKXVZAO-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 51888307
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide
CID 51889727
3-chloro-N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754667
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
4-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 111117899
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 106505409
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
4-chloro-N-(2-hydroxyethyl)-2-nitro-N-prop-2-enylbenzenesulfonamide
CID 115754668
2-fluoro-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 115754678
2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876906

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide (CID 115754612) is 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(CCO)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is UYHARAAMKXVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO3S/c1-2-3-15(4-5-16)19(17,18)11-9(13)6-8(12)7-10(11)14/h2,6-7,16H,1,3-5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 389.10 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 115754612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).