2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide

C19H23N3O6S — CID 18206343

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1
InChIInChI=1S/C19H23N3O6S/c1-28-18-5-3-2-4-16(18)21-29(26,27)19-12-14(22(24)25)8-11-17(19)20-13-6-9-15(23)10-7-13/h2-5,8,11-13,15,20-21,23H,6-7,9-10H2,1H3
InChIKeyZSALMCYBZZKUSH-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.12
Rot. Bonds7

About 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide

2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide (PubChem CID 18206343) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
PubChem CID18206343
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1
InChIInChI=1S/C19H23N3O6S/c1-28-18-5-3-2-4-16(18)21-29(26,27)19-12-14(22(24)25)8-11-17(19)20-13-6-9-15(23)10-7-13/h2-5,8,11-13,15,20-21,23H,6-7,9-10H2,1H3
InChIKeyZSALMCYBZZKUSH-UHFFFAOYSA-N
XLogP3.12
TPSA130.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
2-(3-hydroxypiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 18281229
2-(benzylamino)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 9186751
2-[(2Z)-2-benzylidenehydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 6037118
2-[(2,5-dimethoxyphenyl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 31663976
N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909
N-(2-methoxyphenyl)-5-nitro-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 6044101
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-[4-[(Z)-[[2-[(2-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]phenyl]acetamide
CID 6511098
2-methoxy-5-nitro-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 18141956
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 18074929
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide (CID 18206343) is 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide?
The InChIKey is ZSALMCYBZZKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-28-18-5-3-2-4-16(18)21-29(26,27)19-12-14(22(24)25)8-11-17(19)20-13-6-9-15(23)10-7-13/h2-5,8,11-13,15,20-21,23H,6-7,9-10H2,1H3.
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide?
2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 18206343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).