4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C10H12BrCl2NO4S — CID 61217623

IUPAC4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CCO
InChIInChI=1S/C10H12BrCl2NO4S/c11-7-5-8(12)10(9(13)6-7)19(17,18)14(1-3-15)2-4-16/h5-6,15-16H,1-4H2
InChIKeyLJUJUHSMFCCYFP-UHFFFAOYSA-N
MW393.09 g/mol
LogP1.73
Rot. Bonds6

About 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61217623) has the molecular formula C10H12BrCl2NO4S and a molecular weight of 393.09 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID61217623
Molecular FormulaC10H12BrCl2NO4S
Molecular Weight393.09 g/mol
Exact Mass390.90
IUPAC Name4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CCO
InChIInChI=1S/C10H12BrCl2NO4S/c11-7-5-8(12)10(9(13)6-7)19(17,18)14(1-3-15)2-4-16/h5-6,15-16H,1-4H2
InChIKeyLJUJUHSMFCCYFP-UHFFFAOYSA-N
XLogP1.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.09
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 115754612
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
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
2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876906
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111099
4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561253
2,3,4-trichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876379
3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide
CID 24555937
3-amino-4-bromo-5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 103077363

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 61217623) is 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CCO.
What is the InChIKey of 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is LJUJUHSMFCCYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO4S/c11-7-5-8(12)10(9(13)6-7)19(17,18)14(1-3-15)2-4-16/h5-6,15-16H,1-4H2.
What are the key properties of 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 393.09 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61217623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).