N,N,4-trimethylbenzenesulfonamide

C9H13NO2S — CID 11743

IUPACN,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3
InChIKeyWZKOKGOAHBIPCI-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.25
Rot. Bonds2

About N,N,4-trimethylbenzenesulfonamide

N,N,4-trimethylbenzenesulfonamide (PubChem CID 11743) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN,N,4-trimethylbenzenesulfonamide
PubChem CID11743
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC NameN,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3
InChIKeyWZKOKGOAHBIPCI-UHFFFAOYSA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylbenzenesulfonamide?
The IUPAC name of N,N,4-trimethylbenzenesulfonamide (CID 11743) is N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for N,N,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N,4-trimethylbenzenesulfonamide?
The InChIKey is WZKOKGOAHBIPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3.
What are the key properties of N,N,4-trimethylbenzenesulfonamide?
N,N,4-trimethylbenzenesulfonamide has a molecular weight of 199.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 11743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).