1-ethylnaphthalene-2-sulfonamide

C12H13NO2S — CID 134821257

IUPAC1-ethylnaphthalene-2-sulfonamide
SMILESCCc1c(S(N)(=O)=O)ccc2ccccc12
InChIInChI=1S/C12H13NO2S/c1-2-10-11-6-4-3-5-9(11)7-8-12(10)16(13,14)15/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyPRMBPFYUUOCWKM-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.05
Rot. Bonds2

About 1-ethylnaphthalene-2-sulfonamide

1-ethylnaphthalene-2-sulfonamide (PubChem CID 134821257) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-ethylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name1-ethylnaphthalene-2-sulfonamide
PubChem CID134821257
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name1-ethylnaphthalene-2-sulfonamide
SMILESCCc1c(S(N)(=O)=O)ccc2ccccc12
InChIInChI=1S/C12H13NO2S/c1-2-10-11-6-4-3-5-9(11)7-8-12(10)16(13,14)15/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyPRMBPFYUUOCWKM-UHFFFAOYSA-N
XLogP2.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylnaphthalene-2-sulfonamide?
The IUPAC name of 1-ethylnaphthalene-2-sulfonamide (CID 134821257) is 1-ethylnaphthalene-2-sulfonamide.
What is the SMILES notation for 1-ethylnaphthalene-2-sulfonamide?
The canonical SMILES for 1-ethylnaphthalene-2-sulfonamide is CCc1c(S(N)(=O)=O)ccc2ccccc12.
What is the InChIKey of 1-ethylnaphthalene-2-sulfonamide?
The InChIKey is PRMBPFYUUOCWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-2-10-11-6-4-3-5-9(11)7-8-12(10)16(13,14)15/h3-8H,2H2,1H3,(H2,13,14,15).
What are the key properties of 1-ethylnaphthalene-2-sulfonamide?
1-ethylnaphthalene-2-sulfonamide has a molecular weight of 235.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylnaphthalene-2-sulfonamide is sourced from PubChem (CID 134821257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).