N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide

C22H25N5O5S — CID 39975084

IUPACN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C22H25N5O5S/c1-25(17-7-3-2-4-8-17)33(31,32)21-10-6-5-9-19(21)24-22(28)15-26-20-12-11-18(27(29)30)13-16(20)14-23-26/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,28)
InChIKeyVCBADARSPKCSEF-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.54
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide

N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 39975084) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
PubChem CID39975084
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC NameN-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C22H25N5O5S/c1-25(17-7-3-2-4-8-17)33(31,32)21-10-6-5-9-19(21)24-22(28)15-26-20-12-11-18(27(29)30)13-16(20)14-23-26/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,28)
InChIKeyVCBADARSPKCSEF-UHFFFAOYSA-N
XLogP3.54
TPSA127.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
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

N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
CID 30381217
N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide
CID 1205869
(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 6218817
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347081
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 112829072
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46935059
N-[2-(dimethylsulfamoyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55985098
N-cycloheptyl-N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 51127177
N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151469
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-phenylphenoxy)acetamide
CID 4838958
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425533

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide (CID 39975084) is N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is VCBADARSPKCSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-25(17-7-3-2-4-8-17)33(31,32)21-10-6-5-9-19(21)24-22(28)15-26-20-12-11-18(27(29)30)13-16(20)14-23-26/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,28).
What are the key properties of N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide?
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide has a molecular weight of 471.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 39975084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).