4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide

C22H23N3O4S — CID 170288331

IUPAC4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ccc(NCc3cccc(O)c3N=O)cc2)c1
InChIInChI=1S/C22H23N3O4S/c1-15(2)16-5-3-7-19(13-16)25-30(28,29)20-11-9-18(10-12-20)23-14-17-6-4-8-21(26)22(17)24-27/h3-13,15,23,25-26H,14H2,1-2H3
InChIKeyJFJRHAYXYCKZSU-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.33
Rot. Bonds8

About 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide

4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 170288331) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide
PubChem CID170288331
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ccc(NCc3cccc(O)c3N=O)cc2)c1
InChIInChI=1S/C22H23N3O4S/c1-15(2)16-5-3-7-19(13-16)25-30(28,29)20-11-9-18(10-12-20)23-14-17-6-4-8-21(26)22(17)24-27/h3-13,15,23,25-26H,14H2,1-2H3
InChIKeyJFJRHAYXYCKZSU-UHFFFAOYSA-N
XLogP5.33
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
2,3,4-trihydroxy-N-[3-[(3-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 58626316
4-hydroxy-3-nitro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 31580529
N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline
CID 63421353
N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
CID 25046021
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
2-(2-hydroxyphenyl)-N-(3-propan-2-ylphenyl)acetamide
CID 78990924
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
CID 8518583
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
2-[2-[3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68691582

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide (CID 170288331) is 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1cccc(NS(=O)(=O)c2ccc(NCc3cccc(O)c3N=O)cc2)c1.
What is the InChIKey of 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is JFJRHAYXYCKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-15(2)16-5-3-7-19(13-16)25-30(28,29)20-11-9-18(10-12-20)23-14-17-6-4-8-21(26)22(17)24-27/h3-13,15,23,25-26H,14H2,1-2H3.
What are the key properties of 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide?
4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 5.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-nitrosophenyl)methylamino]-N-(3-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 170288331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).