3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide

C11H14F2N2O3S — CID 107343536

IUPAC3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCC(O)C2CC2)c1F
InChIInChI=1S/C11H14F2N2O3S/c12-7-3-4-9(10(13)11(7)14)19(17,18)15-5-8(16)6-1-2-6/h3-4,6,8,15-16H,1-2,5,14H2
InChIKeyJCXZVMJTCYOTLX-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.60
Rot. Bonds5

About 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide

3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide (PubChem CID 107343536) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
PubChem CID107343536
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCC(O)C2CC2)c1F
InChIInChI=1S/C11H14F2N2O3S/c12-7-3-4-9(10(13)11(7)14)19(17,18)15-5-8(16)6-1-2-6/h3-4,6,8,15-16H,1-2,5,14H2
InChIKeyJCXZVMJTCYOTLX-UHFFFAOYSA-N
XLogP0.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,2-dicyclopropylethyl)-2,4-difluorobenzenesulfonamide
CID 107343649
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325826
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 65206649
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide (CID 107343536) is 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)NCC(O)C2CC2)c1F.
What is the InChIKey of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is JCXZVMJTCYOTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-7-3-4-9(10(13)11(7)14)19(17,18)15-5-8(16)6-1-2-6/h3-4,6,8,15-16H,1-2,5,14H2.
What are the key properties of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 292.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).