bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine

C41H57ClN7O6P3S2 — CID 158787129

IUPACbis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine
SMILESCOc1nc2c(cc1N)CCN(C)CC2.COc1nc2c(cc1NS(=O)(=O)c1ccc(C)cc1)CCN(C)CC2.Cc1ccc(S(=O)(=O)Cl)cc1.PPP.c1ccncc1
InChIInChI=1S/C18H23N3O3S.C11H17N3O.C7H7ClO2S.C5H5N.H5P3/c1-13-4-6-15(7-5-13)25(22,23)20-17-12-14-8-10-21(2)11-9-16(14)19-18(17)24-3;1-14-5-3-8-7-9(12)11(15-2)13-10(8)4-6-14;1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1;1-3-2/h4-7,12,20H,8-11H2,1-3H3;7H,3-6,12H2,1-2H3;2-5H,1H3;1-5H;3H,1-2H2
InChIKeyIRVAYRORTYEYTH-UHFFFAOYSA-N
MW936.46 g/mol
LogP7.18
Rot. Bonds6

About bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine

bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine (PubChem CID 158787129) has the molecular formula C41H57ClN7O6P3S2 and a molecular weight of 936.46 g/mol. Its IUPAC name is bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine.

Molecular Properties

Compound Namebis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine
PubChem CID158787129
Molecular FormulaC41H57ClN7O6P3S2
Molecular Weight936.46 g/mol
Exact Mass935.27
IUPAC Namebis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine
SMILESCOc1nc2c(cc1N)CCN(C)CC2.COc1nc2c(cc1NS(=O)(=O)c1ccc(C)cc1)CCN(C)CC2.Cc1ccc(S(=O)(=O)Cl)cc1.PPP.c1ccncc1
InChIInChI=1S/C18H23N3O3S.C11H17N3O.C7H7ClO2S.C5H5N.H5P3/c1-13-4-6-15(7-5-13)25(22,23)20-17-12-14-8-10-21(2)11-9-16(14)19-18(17)24-3;1-14-5-3-8-7-9(12)11(15-2)13-10(8)4-6-14;1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1;1-3-2/h4-7,12,20H,8-11H2,1-3H3;7H,3-6,12H2,1-2H3;2-5H,1H3;1-5H;3H,1-2H2
InChIKeyIRVAYRORTYEYTH-UHFFFAOYSA-N
XLogP7.18
TPSA169.94 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.46
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine with MolForge

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Related Compounds

4-[(1R)-1-methoxyethyl]-N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
CID 130228777
6-[cyclopentyl(difluoro)methyl]-N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)pyridine-3-sulfonamide
CID 130246681
6-cyclobutyloxy-N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)pyridine-3-sulfonamide
CID 130246088
4-(4-fluorooxan-2-yl)-N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
CID 130246096
4-(difluoromethoxy)-N-(7-ethyl-2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
CID 130246402
N-(7-ethyl-2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
CID 130246682
4-ethoxy-N-(7-ethyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
CID 130246316
2-methoxy-7-methyl-3-nitro-5,6,8,9-tetrahydropyrido[2,3-d]azepine
CID 130228970
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
N-(7-ethyl-2-methoxy-5-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 130246278

Frequently Asked Questions

What is the IUPAC name of bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine?
The IUPAC name of bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine (CID 158787129) is bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine.
What is the SMILES notation for bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine?
The canonical SMILES for bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine is COc1nc2c(cc1N)CCN(C)CC2.COc1nc2c(cc1NS(=O)(=O)c1ccc(C)cc1)CCN(C)CC2.Cc1ccc(S(=O)(=O)Cl)cc1.PPP.c1ccncc1.
What is the InChIKey of bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine?
The InChIKey is IRVAYRORTYEYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.C11H17N3O.C7H7ClO2S.C5H5N.H5P3/c1-13-4-6-15(7-5-13)25(22,23)20-17-12-14-8-10-21(2)11-9-16(14)19-18(17)24-3;1-14-5-3-8-7-9(12)11(15-2)13-10(8)4-6-14;1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1;1-3-2/h4-7,12,20H,8-11H2,1-3H3;7H,3-6,12H2,1-2H3;2-5H,1H3;1-5H;3H,1-2H2.
What are the key properties of bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine?
bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine has a molecular weight of 936.46 g/mol, XLogP of 7.18, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phosphanyl)phosphane;2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-amine;N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-methylbenzenesulfonamide;4-methylbenzenesulfonyl chloride;pyridine is sourced from PubChem (CID 158787129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).