2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C11H12Cl2FNO3S — CID 91662378

IUPAC2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)c(F)c1Cl)N(CCO)C1CC1
InChIInChI=1S/C11H12Cl2FNO3S/c12-8-3-4-9(10(13)11(8)14)19(17,18)15(5-6-16)7-1-2-7/h3-4,7,16H,1-2,5-6H2
InChIKeyARECWRYXCANPFB-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.28
Rot. Bonds5

About 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 91662378) has the molecular formula C11H12Cl2FNO3S and a molecular weight of 328.19 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID91662378
Molecular FormulaC11H12Cl2FNO3S
Molecular Weight328.19 g/mol
Exact Mass326.99
IUPAC Name2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)c(F)c1Cl)N(CCO)C1CC1
InChIInChI=1S/C11H12Cl2FNO3S/c12-8-3-4-9(10(13)11(8)14)19(17,18)15(5-6-16)7-1-2-7/h3-4,7,16H,1-2,5-6H2
InChIKeyARECWRYXCANPFB-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid
CID 103087535
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 43578756
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577627
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 43577516
N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 43577625

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 91662378) is 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)c(F)c1Cl)N(CCO)C1CC1.
What is the InChIKey of 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ARECWRYXCANPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO3S/c12-8-3-4-9(10(13)11(8)14)19(17,18)15(5-6-16)7-1-2-7/h3-4,7,16H,1-2,5-6H2.
What are the key properties of 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 328.19 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 91662378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).