5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

C11H16F2N2O3S — CID 65020659

IUPAC5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O3S/c1-2-3-15(4-5-16)19(17,18)10-7-8(14)6-9(12)11(10)13/h6-7,16H,2-5,14H2,1H3
InChIKeySPSZPFACNRRPGO-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.94
Rot. Bonds6

About 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (PubChem CID 65020659) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
PubChem CID65020659
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC Name5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O3S/c1-2-3-15(4-5-16)19(17,18)10-7-8(14)6-9(12)11(10)13/h6-7,16H,2-5,14H2,1H3
InChIKeySPSZPFACNRRPGO-UHFFFAOYSA-N
XLogP0.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 65020746
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
CID 28551352
5-amino-2-fluoro-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 80628140
2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61216060

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (CID 65020659) is 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is CCCN(CCO)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The InChIKey is SPSZPFACNRRPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-2-3-15(4-5-16)19(17,18)10-7-8(14)6-9(12)11(10)13/h6-7,16H,2-5,14H2,1H3.
What are the key properties of 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 65020659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).