2-chloro-4-ethyl-1-(sulfinatoamino)benzene

C8H9ClNO2S- — CID 57300264

IUPAC2-chloro-4-ethyl-1-(sulfinatoamino)benzene
SMILESCCc1ccc(NS(=O)[O-])c(Cl)c1
InChIInChI=1S/C8H10ClNO2S/c1-2-6-3-4-8(7(9)5-6)10-13(11)12/h3-5,10H,2H2,1H3,(H,11,12)/p-1
InChIKeyJMVDHHHNVAURIM-UHFFFAOYSA-M
MW218.69 g/mol
LogP2.11
Rot. Bonds3

About 2-chloro-4-ethyl-1-(sulfinatoamino)benzene

2-chloro-4-ethyl-1-(sulfinatoamino)benzene (PubChem CID 57300264) has the molecular formula C8H9ClNO2S- and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1-(sulfinatoamino)benzene.

Molecular Properties

Compound Name2-chloro-4-ethyl-1-(sulfinatoamino)benzene
PubChem CID57300264
Molecular FormulaC8H9ClNO2S-
Molecular Weight218.69 g/mol
Exact Mass218.00
IUPAC Name2-chloro-4-ethyl-1-(sulfinatoamino)benzene
SMILESCCc1ccc(NS(=O)[O-])c(Cl)c1
InChIInChI=1S/C8H10ClNO2S/c1-2-6-3-4-8(7(9)5-6)10-13(11)12/h3-5,10H,2H2,1H3,(H,11,12)/p-1
InChIKeyJMVDHHHNVAURIM-UHFFFAOYSA-M
XLogP2.11
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine
CID 163211624
2-chloro-4-ethylbenzaldehyde
CID 14687915
1-nitro-4-propyl-2-(sulfinatoamino)benzene
CID 57104002
3-chloro-4-(ethylsulfinylamino)benzoic acid
CID 127020272
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
(3-chloro-4-methylphenyl)methanesulfinate
CID 23171950
2-chloro-N-[(4-ethylphenyl)methyl]-4-nitroaniline
CID 43686171
2-ethyl-1-methyl-4-(sulfinatoamino)benzene
CID 156579228
1,4-diethylbenzene;oxoalumane
CID 174317758
N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 174464470
2-chloro-1-(disulfanyl)-4-ethylbenzene
CID 166718430
4-ethyl-1-methyl-2-methylsulfinylbenzene;hydrofluoride
CID 176665813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1-(sulfinatoamino)benzene?
The IUPAC name of 2-chloro-4-ethyl-1-(sulfinatoamino)benzene (CID 57300264) is 2-chloro-4-ethyl-1-(sulfinatoamino)benzene.
What is the SMILES notation for 2-chloro-4-ethyl-1-(sulfinatoamino)benzene?
The canonical SMILES for 2-chloro-4-ethyl-1-(sulfinatoamino)benzene is CCc1ccc(NS(=O)[O-])c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethyl-1-(sulfinatoamino)benzene?
The InChIKey is JMVDHHHNVAURIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10ClNO2S/c1-2-6-3-4-8(7(9)5-6)10-13(11)12/h3-5,10H,2H2,1H3,(H,11,12)/p-1.
What are the key properties of 2-chloro-4-ethyl-1-(sulfinatoamino)benzene?
2-chloro-4-ethyl-1-(sulfinatoamino)benzene has a molecular weight of 218.69 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1-(sulfinatoamino)benzene is sourced from PubChem (CID 57300264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).