N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide

C14H24N2O2S — CID 63836615

IUPACN-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-12(6-2)11(3)16-19(17,18)14-9-7-13(15-4)8-10-14/h7-12,15-16H,5-6H2,1-4H3
InChIKeyWUPOOWPMCDJMKG-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.83
Rot. Bonds7

About N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide

N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide (PubChem CID 63836615) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
PubChem CID63836615
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-12(6-2)11(3)16-19(17,18)14-9-7-13(15-4)8-10-14/h7-12,15-16H,5-6H2,1-4H3
InChIKeyWUPOOWPMCDJMKG-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
CID 63838875
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 63841716
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
4-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzenesulfonamide
CID 63837488
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide (CID 63836615) is N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide is CCC(CC)C(C)NS(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide?
The InChIKey is WUPOOWPMCDJMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-12(6-2)11(3)16-19(17,18)14-9-7-13(15-4)8-10-14/h7-12,15-16H,5-6H2,1-4H3.
What are the key properties of N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide?
N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 63836615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).