5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C10H15FN2O4S — CID 61140970

IUPAC5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)N(CCO)CCO)c1
InChIInChI=1S/C10H15FN2O4S/c11-9-2-1-8(12)7-10(9)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2
InChIKeyZXYCTZCDALFIGB-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.62
Rot. Bonds6

About 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide

5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61140970) has the molecular formula C10H15FN2O4S and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID61140970
Molecular FormulaC10H15FN2O4S
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)N(CCO)CCO)c1
InChIInChI=1S/C10H15FN2O4S/c11-9-2-1-8(12)7-10(9)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2
InChIKeyZXYCTZCDALFIGB-UHFFFAOYSA-N
XLogP-0.62
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112
5-amino-N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide
CID 61140977
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 113475408
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587604
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 107485920
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 61140970) is 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)N(CCO)CCO)c1.
What is the InChIKey of 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ZXYCTZCDALFIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S/c11-9-2-1-8(12)7-10(9)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2.
What are the key properties of 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 278.30 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61140970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).