5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C10H10ClFN4O2S — CID 43534673

IUPAC5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)cn1
InChIInChI=1S/C10H10ClFN4O2S/c1-16-5-7(4-14-16)15-19(17,18)9-3-6(13)2-8(11)10(9)12/h2-5,15H,13H2,1H3
InChIKeyGSUCPPFZHXEMKC-UHFFFAOYSA-N
MW304.73 g/mol
LogP1.60
Rot. Bonds3

About 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 43534673) has the molecular formula C10H10ClFN4O2S and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID43534673
Molecular FormulaC10H10ClFN4O2S
Molecular Weight304.73 g/mol
Exact Mass304.02
IUPAC Name5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)cn1
InChIInChI=1S/C10H10ClFN4O2S/c1-16-5-7(4-14-16)15-19(17,18)9-3-6(13)2-8(11)10(9)12/h2-5,15H,13H2,1H3
InChIKeyGSUCPPFZHXEMKC-UHFFFAOYSA-N
XLogP1.60
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 43534673) is 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)cn1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is GSUCPPFZHXEMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O2S/c1-16-5-7(4-14-16)15-19(17,18)9-3-6(13)2-8(11)10(9)12/h2-5,15H,13H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 304.73 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43534673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).