methane;4-methylbenzenesulfonamide

C8H13NO2S — CID 66673954

IUPACmethane;4-methylbenzenesulfonamide
SMILESC.Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9NO2S.CH4/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H2,8,9,10);1H4
InChIKeyRIWCTSGZBGKNAZ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.28
Rot. Bonds1

About methane;4-methylbenzenesulfonamide

methane;4-methylbenzenesulfonamide (PubChem CID 66673954) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is methane;4-methylbenzenesulfonamide.

Molecular Properties

Compound Namemethane;4-methylbenzenesulfonamide
PubChem CID66673954
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Namemethane;4-methylbenzenesulfonamide
SMILESC.Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9NO2S.CH4/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H2,8,9,10);1H4
InChIKeyRIWCTSGZBGKNAZ-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;4-methylbenzenesulfonamide?
The IUPAC name of methane;4-methylbenzenesulfonamide (CID 66673954) is methane;4-methylbenzenesulfonamide.
What is the SMILES notation for methane;4-methylbenzenesulfonamide?
The canonical SMILES for methane;4-methylbenzenesulfonamide is C.Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methane;4-methylbenzenesulfonamide?
The InChIKey is RIWCTSGZBGKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.CH4/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H2,8,9,10);1H4.
What are the key properties of methane;4-methylbenzenesulfonamide?
methane;4-methylbenzenesulfonamide has a molecular weight of 187.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methylbenzenesulfonamide is sourced from PubChem (CID 66673954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).