2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide

C14H12FN3O2S2 — CID 75387225

IUPAC2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C14H12FN3O2S2/c15-11-2-1-3-12(10(11)8-16)22(19,20)18-13(9-4-5-9)14-17-6-7-21-14/h1-3,6-7,9,13,18H,4-5H2
InChIKeyUUQCBQAKVHWTSD-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.58
Rot. Bonds5

About 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide

2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 75387225) has the molecular formula C14H12FN3O2S2 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide
PubChem CID75387225
Molecular FormulaC14H12FN3O2S2
Molecular Weight337.40 g/mol
Exact Mass337.04
IUPAC Name2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C14H12FN3O2S2/c15-11-2-1-3-12(10(11)8-16)22(19,20)18-13(9-4-5-9)14-17-6-7-21-14/h1-3,6-7,9,13,18H,4-5H2
InChIKeyUUQCBQAKVHWTSD-UHFFFAOYSA-N
XLogP2.58
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 104577319
2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 113318697
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103833619
2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide
CID 103833545
2-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 106545998
2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile
CID 118047234
1-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95612502
(2R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
CID 99803435
2-cyano-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049476
2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide
CID 71911254
2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 83016497
2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912639

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide (CID 75387225) is 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)NC(c1nccs1)C1CC1.
What is the InChIKey of 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is UUQCBQAKVHWTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S2/c15-11-2-1-3-12(10(11)8-16)22(19,20)18-13(9-4-5-9)14-17-6-7-21-14/h1-3,6-7,9,13,18H,4-5H2.
What are the key properties of 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide?
2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 75387225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).