4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide

C14H24N2O2S — CID 107328647

IUPAC4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1c(C)cc(NCC)cc1C
InChIInChI=1S/C14H24N2O2S/c1-6-8-16(5)19(17,18)14-11(3)9-13(15-7-2)10-12(14)4/h9-10,15H,6-8H2,1-5H3
InChIKeyKMCZRLWECBFYGR-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.77
Rot. Bonds6

About 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide

4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide (PubChem CID 107328647) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
PubChem CID107328647
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1c(C)cc(NCC)cc1C
InChIInChI=1S/C14H24N2O2S/c1-6-8-16(5)19(17,18)14-11(3)9-13(15-7-2)10-12(14)4/h9-10,15H,6-8H2,1-5H3
InChIKeyKMCZRLWECBFYGR-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 107329077
4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107327994
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
3-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 39385586
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 107328918
N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328167
4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
CID 7574310
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide (CID 107328647) is 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1c(C)cc(NCC)cc1C.
What is the InChIKey of 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide?
The InChIKey is KMCZRLWECBFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-8-16(5)19(17,18)14-11(3)9-13(15-7-2)10-12(14)4/h9-10,15H,6-8H2,1-5H3.
What are the key properties of 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide?
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 107328647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).