4-propylbenzenesulfonamide

C9H13NO2S — CID 2265561

IUPAC4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
InChIKeyCICCMHNIYTXWRF-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.29
Rot. Bonds3

About 4-propylbenzenesulfonamide

4-propylbenzenesulfonamide (PubChem CID 2265561) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-propylbenzenesulfonamide
PubChem CID2265561
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
InChIKeyCICCMHNIYTXWRF-UHFFFAOYSA-N
XLogP1.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propylbenzenesulfonamide?
The IUPAC name of 4-propylbenzenesulfonamide (CID 2265561) is 4-propylbenzenesulfonamide.
What is the SMILES notation for 4-propylbenzenesulfonamide?
The canonical SMILES for 4-propylbenzenesulfonamide is CCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-propylbenzenesulfonamide?
The InChIKey is CICCMHNIYTXWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12).
What are the key properties of 4-propylbenzenesulfonamide?
4-propylbenzenesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylbenzenesulfonamide is sourced from PubChem (CID 2265561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).