5-amino-2-chloro-N,N-diethylbenzenesulfonamide

C10H15ClN2O2S — CID 3779308

IUPAC5-amino-2-chloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-3-13(4-2)16(14,15)10-7-8(12)5-6-9(10)11/h5-7H,3-4,12H2,1-2H3
InChIKeyJJYDDVHNVRFVNS-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.95
Rot. Bonds4

About 5-amino-2-chloro-N,N-diethylbenzenesulfonamide

5-amino-2-chloro-N,N-diethylbenzenesulfonamide (PubChem CID 3779308) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N,N-diethylbenzenesulfonamide
PubChem CID3779308
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name5-amino-2-chloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-3-13(4-2)16(14,15)10-7-8(12)5-6-9(10)11/h5-7H,3-4,12H2,1-2H3
InChIKeyJJYDDVHNVRFVNS-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.95
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 5-amino-2-chloro-N,N-diethylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N,N-diethylbenzenesulfonamide (CID 3779308) is 5-amino-2-chloro-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N,N-diethylbenzenesulfonamide?
The InChIKey is JJYDDVHNVRFVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-3-13(4-2)16(14,15)10-7-8(12)5-6-9(10)11/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N,N-diethylbenzenesulfonamide?
5-amino-2-chloro-N,N-diethylbenzenesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 3779308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).