5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C12H12ClFN2O2S2 — CID 43527958

IUPAC5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C12H12ClFN2O2S2/c1-16(6-8-2-3-19-7-8)20(17,18)11-5-9(15)4-10(13)12(11)14/h2-5,7H,6,15H2,1H3
InChIKeyBHVHZAKVVFKDOO-UHFFFAOYSA-N
MW334.83 g/mol
LogP2.94
Rot. Bonds4

About 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 43527958) has the molecular formula C12H12ClFN2O2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID43527958
Molecular FormulaC12H12ClFN2O2S2
Molecular Weight334.83 g/mol
Exact Mass334.00
IUPAC Name5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C12H12ClFN2O2S2/c1-16(6-8-2-3-19-7-8)20(17,18)11-5-9(15)4-10(13)12(11)14/h2-5,7H,6,15H2,1H3
InChIKeyBHVHZAKVVFKDOO-UHFFFAOYSA-N
XLogP2.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 43527958) is 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is BHVHZAKVVFKDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S2/c1-16(6-8-2-3-19-7-8)20(17,18)11-5-9(15)4-10(13)12(11)14/h2-5,7H,6,15H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 334.83 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43527958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).