4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C12H15BrFNO3S — CID 102675801

IUPAC4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)c(F)c1)N(CCO)C1CCC1
InChIInChI=1S/C12H15BrFNO3S/c13-11-5-4-10(8-12(11)14)19(17,18)15(6-7-16)9-2-1-3-9/h4-5,8-9,16H,1-3,6-7H2
InChIKeyATWBJOHYEWRZMD-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.12
Rot. Bonds5

About 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 102675801) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID102675801
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)c(F)c1)N(CCO)C1CCC1
InChIInChI=1S/C12H15BrFNO3S/c13-11-5-4-10(8-12(11)14)19(17,18)15(6-7-16)9-2-1-3-9/h4-5,8-9,16H,1-3,6-7H2
InChIKeyATWBJOHYEWRZMD-UHFFFAOYSA-N
XLogP2.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 102867609
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859183
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140381
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 102847558
4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 103697325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 102675801) is 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)c(F)c1)N(CCO)C1CCC1.
What is the InChIKey of 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ATWBJOHYEWRZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c13-11-5-4-10(8-12(11)14)19(17,18)15(6-7-16)9-2-1-3-9/h4-5,8-9,16H,1-3,6-7H2.
What are the key properties of 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 352.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 102675801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).