N-cyclopropyl-4-methylsulfanylbenzenesulfonamide

C10H13NO2S2 — CID 2222291

IUPACN-cyclopropyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C10H13NO2S2/c1-14-9-4-6-10(7-5-9)15(12,13)11-8-2-3-8/h4-8,11H,2-3H2,1H3
InChIKeyCPCSXWUAOXENMX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.85
Rot. Bonds4

About N-cyclopropyl-4-methylsulfanylbenzenesulfonamide

N-cyclopropyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 2222291) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-cyclopropyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methylsulfanylbenzenesulfonamide
PubChem CID2222291
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC NameN-cyclopropyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C10H13NO2S2/c1-14-9-4-6-10(7-5-9)15(12,13)11-8-2-3-8/h4-8,11H,2-3H2,1H3
InChIKeyCPCSXWUAOXENMX-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methylsulfanylbenzenesulfonamide (CID 2222291) is N-cyclopropyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is CPCSXWUAOXENMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-14-9-4-6-10(7-5-9)15(12,13)11-8-2-3-8/h4-8,11H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-4-methylsulfanylbenzenesulfonamide?
N-cyclopropyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 243.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 2222291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).