4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide

C22H27N5O2S — CID 89231906

IUPAC4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide
SMILESCN(C1CCC(NCc2ccc3cccnc3n2)CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C22H27N5O2S/c1-27(30(28,29)21-12-5-17(23)6-13-21)20-10-8-18(9-11-20)25-15-19-7-4-16-3-2-14-24-22(16)26-19/h2-7,12-14,18,20,25H,8-11,15,23H2,1H3
InChIKeyRZTZDUXCTRJJET-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.93
Rot. Bonds6

About 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide

4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide (PubChem CID 89231906) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide
PubChem CID89231906
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide
SMILESCN(C1CCC(NCc2ccc3cccnc3n2)CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C22H27N5O2S/c1-27(30(28,29)21-12-5-17(23)6-13-21)20-10-8-18(9-11-20)25-15-19-7-4-16-3-2-14-24-22(16)26-19/h2-7,12-14,18,20,25H,8-11,15,23H2,1H3
InChIKeyRZTZDUXCTRJJET-UHFFFAOYSA-N
XLogP2.93
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
CID 16750106
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115
Phenethyl-(2-pyridin-2-yl-quinazolin-4-yl)-amine
CID 937982
N-(cyclohexylmethyl)-N-(1H-imidazol-4-ylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]benzenesulfonamide
CID 483310
N-[[4-[[[2-(cyclopropylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]cyclohexyl]methyl]-3-fluorobenzenesulfonamide
CID 118716401
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 118716417
4-(phthalazin-1-ylamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 134133052
N-(4,6-dimethylpyrimidin-2-yl)-4-(phthalazin-1-ylamino)benzenesulfonamide
CID 134147608
4-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9460093
4-[(4-Pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347151
N-(2-aminoethyl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 24983829

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide (CID 89231906) is 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide is CN(C1CCC(NCc2ccc3cccnc3n2)CC1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is RZTZDUXCTRJJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-27(30(28,29)21-12-5-17(23)6-13-21)20-10-8-18(9-11-20)25-15-19-7-4-16-3-2-14-24-22(16)26-19/h2-7,12-14,18,20,25H,8-11,15,23H2,1H3.
What are the key properties of 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide?
4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 425.56 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 89231906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).