N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide

C20H24N4O4S — CID 9033321

IUPACN-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C20H24N4O4S/c1-24(16-7-3-2-4-8-16)29(27,28)17-12-10-15(11-13-17)19(25)22-23-20(26)18-9-5-6-14-21-18/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,22,25)(H,23,26)
InChIKeyHIIVNCCPXYKMCD-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.11
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide

N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 9033321) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID9033321
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C20H24N4O4S/c1-24(16-7-3-2-4-8-16)29(27,28)17-12-10-15(11-13-17)19(25)22-23-20(26)18-9-5-6-14-21-18/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,22,25)(H,23,26)
InChIKeyHIIVNCCPXYKMCD-UHFFFAOYSA-N
XLogP2.11
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 46652391
N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
CID 9331872
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4790073
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide
CID 27598657
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
N-(2-chlorophenyl)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364040
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112827708

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 9033321) is N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is HIIVNCCPXYKMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-24(16-7-3-2-4-8-16)29(27,28)17-12-10-15(11-13-17)19(25)22-23-20(26)18-9-5-6-14-21-18/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 9033321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).