N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]

C92H111N17O10S — CID 157142454

About N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]

N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] (PubChem CID 157142454) has the molecular formula C92H111N17O10S and a molecular weight of 1647.08 g/mol. Its IUPAC name is N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine].

Molecular Properties

• Compound Name: N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
• PubChem CID: 157142454
• Molecular Formula: C92H111N17O10S
• Molecular Weight: 1647.08 g/mol
• Exact Mass: 1645.84
• IUPAC Name: N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
• SMILES: C.C.C.C.CCN(CC)S(=O)(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1.COc1cccc2c1C(c1ccc(-c3nn[nH]n3)cc1)=CC1(CCNCC1)O2.COc1cccc2c1C(c1ccc(-c3nnn(C)n3)cc1)=CC1(CCNCC1)O2.COc1cccc2c1C(c1ccc(-c3nnnn3C)cc1)=CC1(CCNCC1)O2
• InChI: InChI=1S/C23H28N2O4S.2C22H23N5O2.C21H21N5O2.4CH4/c1-3-25(4-2)30(27,28)18-10-8-17(9-11-18)19-16-23(12-14-24-15-13-23)29-21-7-5-6-20(26)22(19)21;1-27-21(24-25-26-27)16-8-6-15(7-9-16)17-14-22(10-12-23-13-11-22)29-19-5-3-4-18(28-2)20(17)19;1-27-25-21(24-26-27)16-8-6-15(7-9-16)17-14-22(10-12-23-13-11-22)29-19-5-3-4-18(28-2)20(17)19;1-27-17-3-2-4-18-19(17)16(13-21(28-18)9-11-22-12-10-21)14-5-7-15(8-6-14)20-23-25-26-24-20;;;;/h5-11,16,24,26H,3-4,12-15H2,1-2H3;2*3-9,14,23H,10-13H2,1-2H3;2-8,13,22H,9-12H2,1H3,(H,23,24,25,26);4*1H4
• InChIKey: AKIMVNHAARYUME-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 312.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1647.08
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?

The IUPAC name of N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] (CID 157142454) is N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine].

What is the SMILES notation for N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?

The canonical SMILES for N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] is C.C.C.C.CCN(CC)S(=O)(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1.COc1cccc2c1C(c1ccc(-c3nn[nH]n3)cc1)=CC1(CCNCC1)O2.COc1cccc2c1C(c1ccc(-c3nnn(C)n3)cc1)=CC1(CCNCC1)O2.COc1cccc2c1C(c1ccc(-c3nnnn3C)cc1)=CC1(CCNCC1)O2.

What is the InChIKey of N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?

The InChIKey is AKIMVNHAARYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S.2C22H23N5O2.C21H21N5O2.4CH4/c1-3-25(4-2)30(27,28)18-10-8-17(9-11-18)19-16-23(12-14-24-15-13-23)29-21-7-5-6-20(26)22(19)21;1-27-21(24-25-26-27)16-8-6-15(7-9-16)17-14-22(10-12-23-13-11-22)29-19-5-3-4-18(28-2)20(17)19;1-27-25-21(24-26-27)16-8-6-15(7-9-16)17-14-22(10-12-23-13-11-22)29-19-5-3-4-18(28-2)20(17)19;1-27-17-3-2-4-18-19(17)16(13-21(28-18)9-11-22-12-10-21)14-5-7-15(8-6-14)20-23-25-26-24-20;;;;/h5-11,16,24,26H,3-4,12-15H2,1-2H3;2*3-9,14,23H,10-13H2,1-2H3;2-8,13,22H,9-12H2,1H3,(H,23,24,25,26);4*1H4.

What are the key properties of N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]?

N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] has a molecular weight of 1647.08 g/mol, XLogP of 14.40, 14 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 157142454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).