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

C10H15FN2O4S — CID 61139829

IUPAC2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C10H15FN2O4S/c11-8-1-2-9(12)10(7-8)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2
InChIKeyDJKGFGKLNVLDSV-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.62
Rot. Bonds6

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

2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61139829) has the molecular formula C10H15FN2O4S and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID61139829
Molecular FormulaC10H15FN2O4S
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C10H15FN2O4S/c11-8-1-2-9(12)10(7-8)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2
InChIKeyDJKGFGKLNVLDSV-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

4-amino-N-(2-hydroxyethyl)benzenesulfonamide
CID 456364
N1,N1-Bis(2-hydroxyethyl)metanilamide
CID 4391
(2-Sulfamoylanilino) morpholine-4-carbodithioate
CID 44269014
Solupront
CID 120178
2-(Morpholine-4-sulfonyl)aniline
CID 1132819
4-Fluoro-3-(4-morpholinylsulfonyl)benzenamine
CID 3868145
2-Amino-N,N-diethylbenzenesulfonamide
CID 12819598
Benzenesulfonamide, 4-amino-N-(aminocarbonyl)-, compd. with 2,2'-iminobis(ethanol) (1:1)
CID 3087273
4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 756041
aniline, N'-(2-hydroxy)ethyl-4-sulphamoyl-
CID 43453767
4-Amino-n,n-bis(2-hydroxypropyl)benzenesulfonamide
CID 225106
4-Amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 256292

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 61139829) is 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is DJKGFGKLNVLDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S/c11-8-1-2-9(12)10(7-8)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2.
What are the key properties of 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
2-amino-5-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 2-amino-5-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61139829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).