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'}

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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).