4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide

C11H15BrClNO4S — CID 75387153

IUPAC4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CCCO
InChIInChI=1S/C11H15BrClNO4S/c12-9-2-3-11(10(13)8-9)19(17,18)14(5-7-16)4-1-6-15/h2-3,8,15-16H,1,4-7H2
InChIKeyCIPPKUMNWZESPV-UHFFFAOYSA-N
MW372.67 g/mol
LogP1.47
Rot. Bonds7

About 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 75387153) has the molecular formula C11H15BrClNO4S and a molecular weight of 372.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID75387153
Molecular FormulaC11H15BrClNO4S
Molecular Weight372.67 g/mol
Exact Mass370.96
IUPAC Name4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CCCO
InChIInChI=1S/C11H15BrClNO4S/c12-9-2-3-11(10(13)8-9)19(17,18)14(5-7-16)4-1-6-15/h2-3,8,15-16H,1,4-7H2
InChIKeyCIPPKUMNWZESPV-UHFFFAOYSA-N
XLogP1.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide (CID 75387153) is 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CCCO.
What is the InChIKey of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is CIPPKUMNWZESPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO4S/c12-9-2-3-11(10(13)8-9)19(17,18)14(5-7-16)4-1-6-15/h2-3,8,15-16H,1,4-7H2.
What are the key properties of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 372.67 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 75387153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).