N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide

C13H22N2O2S — CID 54974025

IUPACN-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCNC(C)C)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-10(2)14-7-8-18(16,17)15-13-6-5-11(3)9-12(13)4/h5-6,9-10,14-15H,7-8H2,1-4H3
InChIKeyCNSDXTOXWSRQJY-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.04
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54974025) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54974025
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCNC(C)C)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-10(2)14-7-8-18(16,17)15-13-6-5-11(3)9-12(13)4/h5-6,9-10,14-15H,7-8H2,1-4H3
InChIKeyCNSDXTOXWSRQJY-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54971985
N-(2-bromo-4-methylphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106042677
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
N-(2-methylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974110
N-(5-bromo-2-chlorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 62908956
N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973547
2-[1-(2,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901862
N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 107595222
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 79730231
N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973693
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54974025) is N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide is Cc1ccc(NS(=O)(=O)CCNC(C)C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is CNSDXTOXWSRQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)14-7-8-18(16,17)15-13-6-5-11(3)9-12(13)4/h5-6,9-10,14-15H,7-8H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54974025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).