N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide

C19H25N3O2S — CID 2999972

IUPACN,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC2CCCc3ccccc32)nc1
InChIInChI=1S/C19H25N3O2S/c1-3-22(4-2)25(23,24)16-12-13-19(20-14-16)21-18-11-7-9-15-8-5-6-10-17(15)18/h5-6,8,10,12-14,18H,3-4,7,9,11H2,1-2H3,(H,20,21)
InChIKeyGQBLQOSTFOGIEI-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.60
Rot. Bonds6

About N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide

N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide (PubChem CID 2999972) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide
PubChem CID2999972
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC2CCCc3ccccc32)nc1
InChIInChI=1S/C19H25N3O2S/c1-3-22(4-2)25(23,24)16-12-13-19(20-14-16)21-18-11-7-9-15-8-5-6-10-17(15)18/h5-6,8,10,12-14,18H,3-4,7,9,11H2,1-2H3,(H,20,21)
InChIKeyGQBLQOSTFOGIEI-UHFFFAOYSA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide (CID 2999972) is N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NC2CCCc3ccccc32)nc1.
What is the InChIKey of N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide?
The InChIKey is GQBLQOSTFOGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-22(4-2)25(23,24)16-12-13-19(20-14-16)21-18-11-7-9-15-8-5-6-10-17(15)18/h5-6,8,10,12-14,18H,3-4,7,9,11H2,1-2H3,(H,20,21).
What are the key properties of N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide?
N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide has a molecular weight of 359.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 2999972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).