N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide

C29H25N3O2S — CID 138963611

IUPACN,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2nc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H25N3O2S/c1-22-18-20-26(21-19-22)35(33,34)31(2)29-27(23-12-6-3-7-13-23)32(25-16-10-5-11-17-25)28(30-29)24-14-8-4-9-15-24/h3-21H,1-2H3
InChIKeyBEHQBIRHMRXDSP-UHFFFAOYSA-N
MW479.61 g/mol
LogP6.34
Rot. Bonds6

About N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide

N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide (PubChem CID 138963611) has the molecular formula C29H25N3O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide
PubChem CID138963611
Molecular FormulaC29H25N3O2S
Molecular Weight479.61 g/mol
Exact Mass479.17
IUPAC NameN,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2nc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H25N3O2S/c1-22-18-20-26(21-19-22)35(33,34)31(2)29-27(23-12-6-3-7-13-23)32(25-16-10-5-11-17-25)28(30-29)24-14-8-4-9-15-24/h3-21H,1-2H3
InChIKeyBEHQBIRHMRXDSP-UHFFFAOYSA-N
XLogP6.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide (CID 138963611) is N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2nc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide?
The InChIKey is BEHQBIRHMRXDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2S/c1-22-18-20-26(21-19-22)35(33,34)31(2)29-27(23-12-6-3-7-13-23)32(25-16-10-5-11-17-25)28(30-29)24-14-8-4-9-15-24/h3-21H,1-2H3.
What are the key properties of N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide?
N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide has a molecular weight of 479.61 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1,2,5-triphenylimidazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 138963611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).