N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide

C17H30N2O4S — CID 3667573

IUPACN-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C17H30N2O4S/c1-6-19(7-2)12-8-9-14(3)18-24(20,21)17-13-15(22-4)10-11-16(17)23-5/h10-11,13-14,18H,6-9,12H2,1-5H3
InChIKeyPAFKZLJYGUECAC-UHFFFAOYSA-N
MW358.50 g/mol
LogP2.49
Rot. Bonds11

About N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide

N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 3667573) has the molecular formula C17H30N2O4S and a molecular weight of 358.50 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide
PubChem CID3667573
Molecular FormulaC17H30N2O4S
Molecular Weight358.50 g/mol
Exact Mass358.19
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C17H30N2O4S/c1-6-19(7-2)12-8-9-14(3)18-24(20,21)17-13-15(22-4)10-11-16(17)23-5/h10-11,13-14,18H,6-9,12H2,1-5H3
InChIKeyPAFKZLJYGUECAC-UHFFFAOYSA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681907
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
CID 7618202
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
CID 98788188
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 61246370
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide (CID 3667573) is N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is PAFKZLJYGUECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4S/c1-6-19(7-2)12-8-9-14(3)18-24(20,21)17-13-15(22-4)10-11-16(17)23-5/h10-11,13-14,18H,6-9,12H2,1-5H3.
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide?
N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 358.50 g/mol, XLogP of 2.49, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3667573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).