N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide

C22H25N5O5S — CID 136766805

IUPACN-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C22H25N5O5S/c1-25-19-11-7-6-10-17(19)21(22(25)28)24-23-18-13-12-16(27(29)30)14-20(18)33(31,32)26(2)15-8-4-3-5-9-15/h6-7,10-15,28H,3-5,8-9H2,1-2H3/b24-23+
InChIKeyAUNAZSSUJYHAAM-WCWDXBQESA-N
MW471.54 g/mol
LogP5.16
Rot. Bonds6

About N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide

N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide (PubChem CID 136766805) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide
PubChem CID136766805
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC NameN-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C22H25N5O5S/c1-25-19-11-7-6-10-17(19)21(22(25)28)24-23-18-13-12-16(27(29)30)14-20(18)33(31,32)26(2)15-8-4-3-5-9-15/h6-7,10-15,28H,3-5,8-9H2,1-2H3/b24-23+
InChIKeyAUNAZSSUJYHAAM-WCWDXBQESA-N
XLogP5.16
TPSA130.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[[4-nitro-2-(4-phenylpiperidin-1-yl)sulfonylphenyl]diazenyl]indol-2-ol
CID 136766812
1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol
CID 135898860
3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol
CID 137172473
4-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3252841
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
3-[[2-(4-methylpiperazin-1-yl)sulfonyl-4-nitrophenyl]diazenyl]-1H-indol-2-ol
CID 137172475
N-cyclopentyl-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
CID 43213246
3-[[2-[(2R,4R)-2,4-dimethylpiperidin-1-yl]sulfonyl-4-nitrophenyl]diazenyl]-1H-indol-2-ol
CID 137172485
(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 6218817
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
CID 39975084
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118
methyl 6-amino-5-[[2-[cyclohexyl(methyl)sulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
CID 159373644

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide (CID 136766805) is N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1c(O)n(C)c2ccccc12.
What is the InChIKey of N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide?
The InChIKey is AUNAZSSUJYHAAM-WCWDXBQESA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-25-19-11-7-6-10-17(19)21(22(25)28)24-23-18-13-12-16(27(29)30)14-20(18)33(31,32)26(2)15-8-4-3-5-9-15/h6-7,10-15,28H,3-5,8-9H2,1-2H3/b24-23+.
What are the key properties of N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide?
N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide has a molecular weight of 471.54 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-N-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 136766805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).