5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide

C9H12F2N2O3S — CID 43167687

IUPAC5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCO)c(F)cc1F
InChIInChI=1S/C9H12F2N2O3S/c10-6-4-7(11)9(5-8(6)12)17(15,16)13-2-1-3-14/h4-5,13-14H,1-3,12H2
InChIKeyCPLSZGWTEIROIG-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.21
Rot. Bonds5

About 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide

5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 43167687) has the molecular formula C9H12F2N2O3S and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID43167687
Molecular FormulaC9H12F2N2O3S
Molecular Weight266.27 g/mol
Exact Mass266.05
IUPAC Name5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCO)c(F)cc1F
InChIInChI=1S/C9H12F2N2O3S/c10-6-4-7(11)9(5-8(6)12)17(15,16)13-2-1-3-14/h4-5,13-14H,1-3,12H2
InChIKeyCPLSZGWTEIROIG-UHFFFAOYSA-N
XLogP0.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide (CID 43167687) is 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCCO)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is CPLSZGWTEIROIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S/c10-6-4-7(11)9(5-8(6)12)17(15,16)13-2-1-3-14/h4-5,13-14H,1-3,12H2.
What are the key properties of 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide?
5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 266.27 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 43167687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).