N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide

C24H27N3O4S — CID 73204198

IUPACN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)c2c1CC(N(C)C)CC2
InChIInChI=1S/C24H27N3O4S/c1-27(2)17-9-11-20-21(15-17)23(30-3)13-12-22(20)26-32(28,29)19-10-14-24(25-16-19)31-18-7-5-4-6-8-18/h4-8,10,12-14,16-17,26H,9,11,15H2,1-3H3
InChIKeyZMKOYXQLVJJCKG-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.10
Rot. Bonds7

About N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide

N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide (PubChem CID 73204198) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide
PubChem CID73204198
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)c2c1CC(N(C)C)CC2
InChIInChI=1S/C24H27N3O4S/c1-27(2)17-9-11-20-21(15-17)23(30-3)13-12-22(20)26-32(28,29)19-10-14-24(25-16-19)31-18-7-5-4-6-8-18/h4-8,10,12-14,16-17,26H,9,11,15H2,1-3H3
InChIKeyZMKOYXQLVJJCKG-UHFFFAOYSA-N
XLogP4.10
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide?
The IUPAC name of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide (CID 73204198) is N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide?
The canonical SMILES for N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)c2c1CC(N(C)C)CC2.
What is the InChIKey of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide?
The InChIKey is ZMKOYXQLVJJCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-27(2)17-9-11-20-21(15-17)23(30-3)13-12-22(20)26-32(28,29)19-10-14-24(25-16-19)31-18-7-5-4-6-8-18/h4-8,10,12-14,16-17,26H,9,11,15H2,1-3H3.
What are the key properties of N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide?
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide has a molecular weight of 453.56 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide is sourced from PubChem (CID 73204198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).