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

C11H15BrClNO3S — CID 115755380

IUPAC4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-9(12)8-10(11)13/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyGKPDGVLITRPTJE-UHFFFAOYSA-N
MW356.67 g/mol
LogP2.50
Rot. Bonds6

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

4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 115755380) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID115755380
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-9(12)8-10(11)13/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyGKPDGVLITRPTJE-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]propanoic acid
CID 61009612
ethyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]acetate
CID 61012131
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921
2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 30328734
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide (CID 115755380) is 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide is CCN(CCCO)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is GKPDGVLITRPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-9(12)8-10(11)13/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 115755380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).