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

C11H15BrFNO3S — CID 115755345

IUPAC2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-9(13)8-10(11)12/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyCKHNDELTNFPAGD-UHFFFAOYSA-N
MW340.21 g/mol
LogP1.98
Rot. Bonds6

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

2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 115755345) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID115755345
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC Name2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-9(13)8-10(11)12/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyCKHNDELTNFPAGD-UHFFFAOYSA-N
XLogP1.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-bromo-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 61384576
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755380
2-[(2-bromo-4-fluorophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103862497
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
CID 115755454
2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 61059512
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (CID 115755345) is 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is CCN(CCCO)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is CKHNDELTNFPAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-9(13)8-10(11)12/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 115755345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).