N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide

C13H15FN2O2S — CID 61215504

IUPACN-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C#N)N(C1CC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O2S/c1-13(2,9-15)16(10-7-8-10)19(17,18)12-6-4-3-5-11(12)14/h3-6,10H,7-8H2,1-2H3
InChIKeyOYRPCFUXNBHFIL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.28
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide

N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide (PubChem CID 61215504) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide
PubChem CID61215504
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC NameN-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C#N)N(C1CC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O2S/c1-13(2,9-15)16(10-7-8-10)19(17,18)12-6-4-3-5-11(12)14/h3-6,10H,7-8H2,1-2H3
InChIKeyOYRPCFUXNBHFIL-UHFFFAOYSA-N
XLogP2.28
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 61216587
2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide
CID 61215503
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide
CID 61392309
4-(bromomethyl)-N-(2-cyanopropan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 65481779
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 93042358
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide (CID 61215504) is N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide is CC(C)(C#N)N(C1CC1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
The InChIKey is OYRPCFUXNBHFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-13(2,9-15)16(10-7-8-10)19(17,18)12-6-4-3-5-11(12)14/h3-6,10H,7-8H2,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide?
N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide has a molecular weight of 282.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-N-cyclopropyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 61215504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).