N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide

C16H28N2O2S — CID 65042766

IUPACN-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC(CC)(CC)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-13-17-14-9-11-15(12-10-14)21(19,20)18-16(6-2,7-3)8-4/h9-12,17-18H,5-8,13H2,1-4H3
InChIKeyDTXIMKGDPLLEBB-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.76
Rot. Bonds9

About N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide

N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide (PubChem CID 65042766) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
PubChem CID65042766
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NC(CC)(CC)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-13-17-14-9-11-15(12-10-14)21(19,20)18-16(6-2,7-3)8-4/h9-12,17-18H,5-8,13H2,1-4H3
InChIKeyDTXIMKGDPLLEBB-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-3-yl)-4-hydrazinylbenzenesulfonamide
CID 65042690
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042475
N-(1-methylcyclopentyl)-4-(propylamino)benzenesulfonamide
CID 64687908
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluorobenzenesulfonamide
CID 114011015
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide (CID 65042766) is N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NC(CC)(CC)CC)cc1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide?
The InChIKey is DTXIMKGDPLLEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-13-17-14-9-11-15(12-10-14)21(19,20)18-16(6-2,7-3)8-4/h9-12,17-18H,5-8,13H2,1-4H3.
What are the key properties of N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide?
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 65042766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).