N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide

C27H22N2O3S — CID 102247948

IUPACN-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)Oc2ccccc2N3Cc2ccccc2)cc1
InChIInChI=1S/C27H22N2O3S/c1-2-20-12-15-23(16-13-20)33(30,31)28-22-14-17-25-27(18-22)32-26-11-7-6-10-24(26)29(25)19-21-8-4-3-5-9-21/h2-18,28H,1,19H2
InChIKeyWKCZBKJFGUCAFU-UHFFFAOYSA-N
MW454.55 g/mol
LogP6.57
Rot. Bonds6

About N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide

N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide (PubChem CID 102247948) has the molecular formula C27H22N2O3S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide
PubChem CID102247948
Molecular FormulaC27H22N2O3S
Molecular Weight454.55 g/mol
Exact Mass454.14
IUPAC NameN-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)Oc2ccccc2N3Cc2ccccc2)cc1
InChIInChI=1S/C27H22N2O3S/c1-2-20-12-15-23(16-13-20)33(30,31)28-22-14-17-25-27(18-22)32-26-11-7-6-10-24(26)29(25)19-21-8-4-3-5-9-21/h2-18,28H,1,19H2
InChIKeyWKCZBKJFGUCAFU-UHFFFAOYSA-N
XLogP6.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide?
The IUPAC name of N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide (CID 102247948) is N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide.
What is the SMILES notation for N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide?
The canonical SMILES for N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide is C=Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)Oc2ccccc2N3Cc2ccccc2)cc1.
What is the InChIKey of N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide?
The InChIKey is WKCZBKJFGUCAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3S/c1-2-20-12-15-23(16-13-20)33(30,31)28-22-14-17-25-27(18-22)32-26-11-7-6-10-24(26)29(25)19-21-8-4-3-5-9-21/h2-18,28H,1,19H2.
What are the key properties of N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide?
N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide has a molecular weight of 454.55 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-benzylphenoxazin-3-yl)-4-ethenylbenzenesulfonamide is sourced from PubChem (CID 102247948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).