4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine

C12H17Cl2NO3S — CID 64696960

IUPAC4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO3S/c1-2-18-10(8-15)5-6-19(16,17)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,15H2,1H3
InChIKeyIPRVTVDEEIHGAK-UHFFFAOYSA-N
MW326.25 g/mol
LogP2.52
Rot. Bonds7

About 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine

4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine (PubChem CID 64696960) has the molecular formula C12H17Cl2NO3S and a molecular weight of 326.25 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine
PubChem CID64696960
Molecular FormulaC12H17Cl2NO3S
Molecular Weight326.25 g/mol
Exact Mass325.03
IUPAC Name4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO3S/c1-2-18-10(8-15)5-6-19(16,17)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,15H2,1H3
InChIKeyIPRVTVDEEIHGAK-UHFFFAOYSA-N
XLogP2.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-2-ethoxypropan-1-amine
CID 64697562
1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
CID 64639823
4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine
CID 55146669
4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
CID 63071445
3-(2,5-dichlorophenyl)sulfonyl-N-propylpropan-1-amine
CID 64641245
4-chloro-3-(3-ethoxypropylsulfonyl)aniline
CID 81200920
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium
CID 9335013
2-[2-(bromomethyl)butylsulfonyl]-1,4-dichlorobenzene
CID 65000665
4-butylsulfonyl-2-ethoxybutan-1-amine
CID 64696379
2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine
CID 107766945
2-(2,5-dichlorophenyl)sulfonylacetamide
CID 13344609
ethyl 5-chloro-2-(4-chloro-2-ethoxysulfonylphenyl)benzenesulfonate
CID 87161316

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine (CID 64696960) is 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine is CCOC(CN)CCS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine?
The InChIKey is IPRVTVDEEIHGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3S/c1-2-18-10(8-15)5-6-19(16,17)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,15H2,1H3.
What are the key properties of 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine?
4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine has a molecular weight of 326.25 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine is sourced from PubChem (CID 64696960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).