2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide

C20H21N3O4S — CID 34112148

IUPAC2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCC(c4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C20H21N3O4S/c24-19-20(25)22-18-12-16(10-11-17(18)21-19)28(26,27)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15,23H,6-9H2,(H,21,24)(H,22,25)
InChIKeySSIMFKKSFSAMND-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.22
Rot. Bonds4

About 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide

2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 34112148) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID34112148
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCC(c4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C20H21N3O4S/c24-19-20(25)22-18-12-16(10-11-17(18)21-19)28(26,27)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15,23H,6-9H2,(H,21,24)(H,22,25)
InChIKeySSIMFKKSFSAMND-UHFFFAOYSA-N
XLogP2.22
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
N-(4-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 155964127
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 126798915
4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
CID 46406704
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]acetic acid
CID 2064173
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
CID 110413355
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide (CID 34112148) is 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NC3CCC(c4ccccc4)CC3)cc2[nH]c1=O.
What is the InChIKey of 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is SSIMFKKSFSAMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-19-20(25)22-18-12-16(10-11-17(18)21-19)28(26,27)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15,23H,6-9H2,(H,21,24)(H,22,25).
What are the key properties of 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide?
2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 399.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 34112148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).