N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide

C22H22N2O3S — CID 89003096

IUPACN-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide
SMILESCCN(Cc1cc(C)ccc1-c1ccccc1)S(=O)(=O)c1ccccc1N=O
InChIInChI=1S/C22H22N2O3S/c1-3-24(28(26,27)22-12-8-7-11-21(22)23-25)16-19-15-17(2)13-14-20(19)18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3
InChIKeyGYQRURJYHQFSFN-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.27
Rot. Bonds7

About N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide

N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide (PubChem CID 89003096) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide
PubChem CID89003096
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide
SMILESCCN(Cc1cc(C)ccc1-c1ccccc1)S(=O)(=O)c1ccccc1N=O
InChIInChI=1S/C22H22N2O3S/c1-3-24(28(26,27)22-12-8-7-11-21(22)23-25)16-19-15-17(2)13-14-20(19)18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3
InChIKeyGYQRURJYHQFSFN-UHFFFAOYSA-N
XLogP5.27
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide?
The IUPAC name of N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide (CID 89003096) is N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide?
The canonical SMILES for N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide is CCN(Cc1cc(C)ccc1-c1ccccc1)S(=O)(=O)c1ccccc1N=O.
What is the InChIKey of N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide?
The InChIKey is GYQRURJYHQFSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-3-24(28(26,27)22-12-8-7-11-21(22)23-25)16-19-15-17(2)13-14-20(19)18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide?
N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide is sourced from PubChem (CID 89003096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).