2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide

C24H28N4O3S — CID 163817075

IUPAC2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide
SMILESO=Nc1ccccc1S(=O)(=O)NCC1CCC(CNCc2ccc3ccccc3n2)CC1
InChIInChI=1S/C24H28N4O3S/c29-28-23-7-3-4-8-24(23)32(30,31)26-16-19-11-9-18(10-12-19)15-25-17-21-14-13-20-5-1-2-6-22(20)27-21/h1-8,13-14,18-19,25-26H,9-12,15-17H2
InChIKeyNSGNANVBWZZSLL-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.51
Rot. Bonds9

About 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide

2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide (PubChem CID 163817075) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide
PubChem CID163817075
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide
SMILESO=Nc1ccccc1S(=O)(=O)NCC1CCC(CNCc2ccc3ccccc3n2)CC1
InChIInChI=1S/C24H28N4O3S/c29-28-23-7-3-4-8-24(23)32(30,31)26-16-19-11-9-18(10-12-19)15-25-17-21-14-13-20-5-1-2-6-22(20)27-21/h1-8,13-14,18-19,25-26H,9-12,15-17H2
InChIKeyNSGNANVBWZZSLL-UHFFFAOYSA-N
XLogP4.51
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 139925377
2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734145
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 103699309
N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115573545
1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine
CID 81039352
1-(2,2-dimethylcyclopropyl)-N-(quinolin-2-ylmethyl)methanamine
CID 103699442
N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916
N-(quinolin-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352821
1-cyclopropyl-2-(quinolin-2-ylmethylamino)ethanol
CID 63298862
4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide
CID 131931964

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide (CID 163817075) is 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide is O=Nc1ccccc1S(=O)(=O)NCC1CCC(CNCc2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is NSGNANVBWZZSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c29-28-23-7-3-4-8-24(23)32(30,31)26-16-19-11-9-18(10-12-19)15-25-17-21-14-13-20-5-1-2-6-22(20)27-21/h1-8,13-14,18-19,25-26H,9-12,15-17H2.
What are the key properties of 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide?
2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 163817075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).