N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C17H20N2O3S — CID 51204434

IUPACN-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-22-16-7-9-17(10-8-16)23(20,21)19(15-5-6-15)13-14-4-3-11-18-12-14/h3-4,7-12,15H,2,5-6,13H2,1H3
InChIKeyDRVUZTUATLYEJO-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.83
Rot. Bonds7

About N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 51204434) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID51204434
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-22-16-7-9-17(10-8-16)23(20,21)19(15-5-6-15)13-14-4-3-11-18-12-14/h3-4,7-12,15H,2,5-6,13H2,1H3
InChIKeyDRVUZTUATLYEJO-UHFFFAOYSA-N
XLogP2.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-dicyclopropyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 55564950
(2R)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22856296
N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511974
2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61042316
3-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24732333
3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid
CID 60718266
4-(azepan-1-ylsulfonyl)-N-cyclopentyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 3192396
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N-(4-ethoxyphenyl)-N-ethylpyridine-3-sulfonamide
CID 4105425
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-dimethyl-4-N-[(1R,2S)-2-methylcyclohexyl]benzene-1,4-disulfonamide
CID 40629286
N-(4-ethoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 56794329

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 51204434) is N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is DRVUZTUATLYEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-22-16-7-9-17(10-8-16)23(20,21)19(15-5-6-15)13-14-4-3-11-18-12-14/h3-4,7-12,15H,2,5-6,13H2,1H3.
What are the key properties of N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 51204434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).