1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene

C8H10Cl2N2O2S — CID 112684116

IUPAC1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene
SMILESCC(NS(N)(=O)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O2S/c1-5(12-15(11,13)14)6-2-3-7(9)8(10)4-6/h2-5,12H,1H3,(H2,11,13,14)
InChIKeyMRTZAIDMSBXDGA-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.85
Rot. Bonds3

About 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene

1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene (PubChem CID 112684116) has the molecular formula C8H10Cl2N2O2S and a molecular weight of 269.15 g/mol. Its IUPAC name is 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene
PubChem CID112684116
Molecular FormulaC8H10Cl2N2O2S
Molecular Weight269.15 g/mol
Exact Mass267.98
IUPAC Name1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene
SMILESCC(NS(N)(=O)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O2S/c1-5(12-15(11,13)14)6-2-3-7(9)8(10)4-6/h2-5,12H,1H3,(H2,11,13,14)
InChIKeyMRTZAIDMSBXDGA-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054
N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61249472
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 42913006
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 95135138
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
2,4,5-trichloro-N-[1-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22200948
1-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 62085630
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
[1-(3,4-dichlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105281333
N-[4-[1-(3,4-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43109864
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene (CID 112684116) is 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene is CC(NS(N)(=O)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene?
The InChIKey is MRTZAIDMSBXDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S/c1-5(12-15(11,13)14)6-2-3-7(9)8(10)4-6/h2-5,12H,1H3,(H2,11,13,14).
What are the key properties of 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene?
1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene has a molecular weight of 269.15 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 112684116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).