2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

C11H14BrF2NO3S — CID 61216060

IUPAC2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H14BrF2NO3S/c1-2-3-15(4-5-16)19(17,18)11-9(12)6-8(13)7-10(11)14/h6-7,16H,2-5H2,1H3
InChIKeyKNXVHYALWATZPD-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.12
Rot. Bonds6

About 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (PubChem CID 61216060) has the molecular formula C11H14BrF2NO3S and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
PubChem CID61216060
Molecular FormulaC11H14BrF2NO3S
Molecular Weight358.20 g/mol
Exact Mass356.98
IUPAC Name2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H14BrF2NO3S/c1-2-3-15(4-5-16)19(17,18)11-9(12)6-8(13)7-10(11)14/h6-7,16H,2-5H2,1H3
InChIKeyKNXVHYALWATZPD-UHFFFAOYSA-N
XLogP2.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide
CID 61072716
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111099
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
N-(2-aminoethyl)-2-bromo-4,6-difluoro-N-methylbenzenesulfonamide
CID 62686253
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
2-bromo-4,6-difluorobenzenesulfonic acid
CID 87704904

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (CID 61216060) is 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is CCCN(CCO)S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The InChIKey is KNXVHYALWATZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO3S/c1-2-3-15(4-5-16)19(17,18)11-9(12)6-8(13)7-10(11)14/h6-7,16H,2-5H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide has a molecular weight of 358.20 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 61216060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).