4-propylsulfanylbenzenesulfonamide

C9H13NO2S2 — CID 71720662

IUPAC4-propylsulfanylbenzenesulfonamide
SMILESCCCSc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
InChIKeyQFWWUTSCPNTDPO-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.84
Rot. Bonds4

About 4-propylsulfanylbenzenesulfonamide

4-propylsulfanylbenzenesulfonamide (PubChem CID 71720662) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-propylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name4-propylsulfanylbenzenesulfonamide
PubChem CID71720662
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name4-propylsulfanylbenzenesulfonamide
SMILESCCCSc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
InChIKeyQFWWUTSCPNTDPO-UHFFFAOYSA-N
XLogP1.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propylsulfanylbenzenesulfonamide?
The IUPAC name of 4-propylsulfanylbenzenesulfonamide (CID 71720662) is 4-propylsulfanylbenzenesulfonamide.
What is the SMILES notation for 4-propylsulfanylbenzenesulfonamide?
The canonical SMILES for 4-propylsulfanylbenzenesulfonamide is CCCSc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-propylsulfanylbenzenesulfonamide?
The InChIKey is QFWWUTSCPNTDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12).
What are the key properties of 4-propylsulfanylbenzenesulfonamide?
4-propylsulfanylbenzenesulfonamide has a molecular weight of 231.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfanylbenzenesulfonamide is sourced from PubChem (CID 71720662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).