N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide

C14H17NO2S — CID 175218489

IUPACN,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1(C)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H17NO2S/c1-14(18(16,17)15-2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3
InChIKeyXBLOESLDLVQMGF-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.34
Rot. Bonds3

About N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide

N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 175218489) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID175218489
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1(C)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H17NO2S/c1-14(18(16,17)15-2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3
InChIKeyXBLOESLDLVQMGF-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide (CID 175218489) is N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide is CNS(=O)(=O)C1(C)C=CC(c2ccccc2)=CC1.
What is the InChIKey of N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is XBLOESLDLVQMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-14(18(16,17)15-2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3.
What are the key properties of N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide?
N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 175218489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).