N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide

C21H25N3O6S — CID 2687868

IUPACN-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C21H25N3O6S/c1-30-20-11-10-17(24(26)27)13-19(20)23-31(28,29)18-9-5-8-16(12-18)21(25)22-14-15-6-3-2-4-7-15/h5,8-13,15,23H,2-4,6-7,14H2,1H3,(H,22,25)
InChIKeyGEJQCXKSYQQRRY-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.71
Rot. Bonds8

About N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide

N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide (PubChem CID 2687868) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
PubChem CID2687868
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C21H25N3O6S/c1-30-20-11-10-17(24(26)27)13-19(20)23-31(28,29)18-9-5-8-16(12-18)21(25)22-14-15-6-3-2-4-7-15/h5,8-13,15,23H,2-4,6-7,14H2,1H3,(H,22,25)
InChIKeyGEJQCXKSYQQRRY-UHFFFAOYSA-N
XLogP3.71
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 166387283
N-[2-(3-chlorophenyl)ethyl]-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 39731277
N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 26696362
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4965232
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
(1-amino-1-oxopropan-2-yl) 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate
CID 4853346
3-cyano-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 7938488
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 43017529
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide (CID 2687868) is N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide?
The InChIKey is GEJQCXKSYQQRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-30-20-11-10-17(24(26)27)13-19(20)23-31(28,29)18-9-5-8-16(12-18)21(25)22-14-15-6-3-2-4-7-15/h5,8-13,15,23H,2-4,6-7,14H2,1H3,(H,22,25).
What are the key properties of N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide?
N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide has a molecular weight of 447.51 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2687868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).