5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide

C10H14ClFN2O2S — CID 43257154

IUPAC5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-6(2)14(3)17(15,16)9-5-7(13)4-8(11)10(9)12/h4-6H,13H2,1-3H3
InChIKeyUPTDQVLWJDKWPR-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide

5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 43257154) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID43257154
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-6(2)14(3)17(15,16)9-5-7(13)4-8(11)10(9)12/h4-6H,13H2,1-3H3
InChIKeyUPTDQVLWJDKWPR-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 43257154) is 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UPTDQVLWJDKWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-6(2)14(3)17(15,16)9-5-7(13)4-8(11)10(9)12/h4-6H,13H2,1-3H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 280.75 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43257154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).