5-chloro-2-(propylamino)benzenesulfonamide

C9H13ClN2O2S — CID 44590433

IUPAC5-chloro-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C9H13ClN2O2S/c1-2-5-12-8-4-3-7(10)6-9(8)15(11,13)14/h3-4,6,12H,2,5H2,1H3,(H2,11,13,14)
InChIKeyZPQVCVSHWQWNNZ-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.81
Rot. Bonds4

About 5-chloro-2-(propylamino)benzenesulfonamide

5-chloro-2-(propylamino)benzenesulfonamide (PubChem CID 44590433) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 5-chloro-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(propylamino)benzenesulfonamide
PubChem CID44590433
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name5-chloro-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C9H13ClN2O2S/c1-2-5-12-8-4-3-7(10)6-9(8)15(11,13)14/h3-4,6,12H,2,5H2,1H3,(H2,11,13,14)
InChIKeyZPQVCVSHWQWNNZ-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propylamino)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(propylamino)benzenesulfonamide (CID 44590433) is 5-chloro-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(propylamino)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(propylamino)benzenesulfonamide is CCCNc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-(propylamino)benzenesulfonamide?
The InChIKey is ZPQVCVSHWQWNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-2-5-12-8-4-3-7(10)6-9(8)15(11,13)14/h3-4,6,12H,2,5H2,1H3,(H2,11,13,14).
What are the key properties of 5-chloro-2-(propylamino)benzenesulfonamide?
5-chloro-2-(propylamino)benzenesulfonamide has a molecular weight of 248.73 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 44590433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).