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

C16H21N3O3S — CID 97239309

IUPAC1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1
InChIInChI=1S/C16H21N3O3S/c1-2-19-11-14(10-17-19)23(21,22)18-12-16(20)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-11,18,20H,2,5,7,9,12H2,1H3/t16-/m1/s1
InChIKeyZJZGCAPDLUBQNQ-MRXNPFEDSA-N
MW335.43 g/mol
LogP1.41
Rot. Bonds5

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

1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 97239309) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide
PubChem CID97239309
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1
InChIInChI=1S/C16H21N3O3S/c1-2-19-11-14(10-17-19)23(21,22)18-12-16(20)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-11,18,20H,2,5,7,9,12H2,1H3/t16-/m1/s1
InChIKeyZJZGCAPDLUBQNQ-MRXNPFEDSA-N
XLogP1.41
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide (CID 97239309) is 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC[C@]2(O)CCCc3ccccc32)cn1.
What is the InChIKey of 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is ZJZGCAPDLUBQNQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-19-11-14(10-17-19)23(21,22)18-12-16(20)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-11,18,20H,2,5,7,9,12H2,1H3/t16-/m1/s1.
What are the key properties of 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 97239309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).