N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide

C15H19N3O3S — CID 97075661

IUPACN-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1
InChIInChI=1S/C15H19N3O3S/c1-18-10-13(9-16-18)22(20,21)17-11-15(19)8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-10,17,19H,4,6,8,11H2,1H3/t15-/m1/s1
InChIKeyQXJIGVFWPJSUCP-OAHLLOKOSA-N
MW321.40 g/mol
LogP0.92
Rot. Bonds4

About N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide

N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 97075661) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID97075661
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1
InChIInChI=1S/C15H19N3O3S/c1-18-10-13(9-16-18)22(20,21)17-11-15(19)8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-10,17,19H,4,6,8,11H2,1H3/t15-/m1/s1
InChIKeyQXJIGVFWPJSUCP-OAHLLOKOSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide (CID 97075661) is N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1.
What is the InChIKey of N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is QXJIGVFWPJSUCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-18-10-13(9-16-18)22(20,21)17-11-15(19)8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-10,17,19H,4,6,8,11H2,1H3/t15-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide?
N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 97075661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).