N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide

C16H27NO3S — CID 103835154

IUPACN-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO3S/c1-6-14(7-2)15(18)10-17-21(19,20)16-12(4)8-11(3)9-13(16)5/h8-9,14-15,17-18H,6-7,10H2,1-5H3
InChIKeyIZKKGVXBHXQOJV-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.69
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide

N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 103835154) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID103835154
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO3S/c1-6-14(7-2)15(18)10-17-21(19,20)16-12(4)8-11(3)9-13(16)5/h8-9,14-15,17-18H,6-7,10H2,1-5H3
InChIKeyIZKKGVXBHXQOJV-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 106284208
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008
4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106288270
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835124
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
CID 90500302
N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
CID 8778480
2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106284162
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide (CID 103835154) is N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is IZKKGVXBHXQOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-6-14(7-2)15(18)10-17-21(19,20)16-12(4)8-11(3)9-13(16)5/h8-9,14-15,17-18H,6-7,10H2,1-5H3.
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide?
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 313.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 103835154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).