N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide

C19H34N2O3S — CID 70412176

IUPACN-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide
SMILESCCCCCCCN(CC)CC(O)c1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C19H34N2O3S/c1-4-7-8-9-10-15-21(5-2)16-19(22)17-11-13-18(14-12-17)20-25(23,24)6-3/h11-14,19-20,22H,4-10,15-16H2,1-3H3
InChIKeyLTHBGKLDPJLNMM-UHFFFAOYSA-N
MW370.56 g/mol
LogP3.77
Rot. Bonds13

About N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide

N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide (PubChem CID 70412176) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide
PubChem CID70412176
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC NameN-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide
SMILESCCCCCCCN(CC)CC(O)c1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C19H34N2O3S/c1-4-7-8-9-10-15-21(5-2)16-19(22)17-11-13-18(14-12-17)20-25(23,24)6-3/h11-14,19-20,22H,4-10,15-16H2,1-3H3
InChIKeyLTHBGKLDPJLNMM-UHFFFAOYSA-N
XLogP3.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[decyl(ethyl)amino]-1-hydroxybutyl]-4-(sulfamoylamino)benzene
CID 70411210
N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891458
N-[4-[(1S)-4-[7,7-difluoroheptyl(ethyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 10812091
N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891471
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
4-[2-(dibutylamino)-1-hydroxyethyl]benzenecarbothioamide
CID 43290538
1-[[ethyl(heptyl)amino]methyl]-4-(sulfamoylamino)benzene;methane
CID 70411356
2-[docosyl(ethyl)amino]ethane-1,1-diol
CID 175231954
(E)-but-2-enedioic acid;N-[4-[4-[ethyl-[(6S)-6-fluoroheptyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70301359
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
4-[2-[ethyl(propyl)amino]-1-hydroxyethyl]benzenecarbothioamide
CID 43290632
2-[ethyl(octadecyl)amino]ethane-1,1-diol;hydrochloride
CID 173150184

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide (CID 70412176) is N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide is CCCCCCCN(CC)CC(O)c1ccc(NS(=O)(=O)CC)cc1.
What is the InChIKey of N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide?
The InChIKey is LTHBGKLDPJLNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-4-7-8-9-10-15-21(5-2)16-19(22)17-11-13-18(14-12-17)20-25(23,24)6-3/h11-14,19-20,22H,4-10,15-16H2,1-3H3.
What are the key properties of N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide?
N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide has a molecular weight of 370.56 g/mol, XLogP of 3.77, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 70412176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).