N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C15H17FN2O2S2 — CID 110716203

IUPACN-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(CCc1nccs1)C1CC1
InChIInChI=1S/C15H17FN2O2S2/c1-11-10-12(16)2-5-14(11)22(19,20)18(13-3-4-13)8-6-15-17-7-9-21-15/h2,5,7,9-10,13H,3-4,6,8H2,1H3
InChIKeyHCUHOOGXJZBJBZ-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.99
Rot. Bonds6

About N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110716203) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110716203
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.44 g/mol
Exact Mass340.07
IUPAC NameN-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(CCc1nccs1)C1CC1
InChIInChI=1S/C15H17FN2O2S2/c1-11-10-12(16)2-5-14(11)22(19,20)18(13-3-4-13)8-6-15-17-7-9-21-15/h2,5,7,9-10,13H,3-4,6,8H2,1H3
InChIKeyHCUHOOGXJZBJBZ-UHFFFAOYSA-N
XLogP2.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 110716203) is N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(CCc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is HCUHOOGXJZBJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c1-11-10-12(16)2-5-14(11)22(19,20)18(13-3-4-13)8-6-15-17-7-9-21-15/h2,5,7,9-10,13H,3-4,6,8H2,1H3.
What are the key properties of N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110716203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).