2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C14H21Cl2N2O3S+ — CID 9050004

IUPAC2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-10(2)17-14(19)9-18(3)6-7-22(20,21)13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,19)/p+1
InChIKeyIVIVTIACYMYHKS-UHFFFAOYSA-O
MW368.31 g/mol
LogP0.81
Rot. Bonds7

About 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9050004) has the molecular formula C14H21Cl2N2O3S+ and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9050004
Molecular FormulaC14H21Cl2N2O3S+
Molecular Weight368.31 g/mol
Exact Mass367.06
IUPAC Name2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-10(2)17-14(19)9-18(3)6-7-22(20,21)13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,19)/p+1
InChIKeyIVIVTIACYMYHKS-UHFFFAOYSA-O
XLogP0.81
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium
CID 8767670
2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium
CID 8963732
2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium
CID 8772315
[2-(benzhydrylamino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048967
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium
CID 9335013
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049037
3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide
CID 126223702
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048951
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
CID 8909551
2-(2,5-dichlorophenyl)sulfonylacetamide
CID 13344609

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9050004) is 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is IVIVTIACYMYHKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-10(2)17-14(19)9-18(3)6-7-22(20,21)13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,19)/p+1.
What are the key properties of 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 368.31 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9050004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).