4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine

C10H16ClN3O2S — CID 39377081

IUPAC4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine
SMILESCCN(c1ccc(Cl)c(N)c1)S(=O)(=O)N(C)C
InChIInChI=1S/C10H16ClN3O2S/c1-4-14(17(15,16)13(2)3)8-5-6-9(11)10(12)7-8/h5-7H,4,12H2,1-3H3
InChIKeyUMENUTHPFFLIEE-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.55
Rot. Bonds4

About 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine

4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine (PubChem CID 39377081) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine
PubChem CID39377081
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine
SMILESCCN(c1ccc(Cl)c(N)c1)S(=O)(=O)N(C)C
InChIInChI=1S/C10H16ClN3O2S/c1-4-14(17(15,16)13(2)3)8-5-6-9(11)10(12)7-8/h5-7H,4,12H2,1-3H3
InChIKeyUMENUTHPFFLIEE-UHFFFAOYSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine?
The IUPAC name of 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine (CID 39377081) is 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine?
The canonical SMILES for 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine is CCN(c1ccc(Cl)c(N)c1)S(=O)(=O)N(C)C.
What is the InChIKey of 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine?
The InChIKey is UMENUTHPFFLIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-4-14(17(15,16)13(2)3)8-5-6-9(11)10(12)7-8/h5-7H,4,12H2,1-3H3.
What are the key properties of 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine?
4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine has a molecular weight of 277.78 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(dimethylsulfamoyl)-1-N-ethylbenzene-1,3-diamine is sourced from PubChem (CID 39377081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).