N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide

C13H16N2O3S — CID 60580456

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H16N2O3S/c1-18-12-5-2-3-6-13(12)19(16,17)15(10-4-9-14)11-7-8-11/h2-3,5-6,11H,4,7-8,10H2,1H3
InChIKeyLXNHZAOGIAKMDT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.76
Rot. Bonds6

About N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide

N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide (PubChem CID 60580456) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
PubChem CID60580456
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H16N2O3S/c1-18-12-5-2-3-6-13(12)19(16,17)15(10-4-9-14)11-7-8-11/h2-3,5-6,11H,4,7-8,10H2,1H3
InChIKeyLXNHZAOGIAKMDT-UHFFFAOYSA-N
XLogP1.76
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 62159326
2-cyano-N-(2-cyanoethyl)-N-cyclopropylpyridine-3-sulfonamide
CID 106545724
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910
N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide
CID 3456731
N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide
CID 60579966
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71889824
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103305242
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide
CID 62158783
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60580837
N-(2-cyanoethyl)-N-cyclopropyl-4-methyl-3-nitrobenzenesulfonamide
CID 60580061

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide (CID 60580456) is N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide?
The InChIKey is LXNHZAOGIAKMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-12-5-2-3-6-13(12)19(16,17)15(10-4-9-14)11-7-8-11/h2-3,5-6,11H,4,7-8,10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 60580456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).