5-(propan-2-ylamino)naphthalene-1-sulfonamide

C13H16N2O2S — CID 174372810

IUPAC5-(propan-2-ylamino)naphthalene-1-sulfonamide
SMILESCC(C)Nc1cccc2c(S(N)(=O)=O)cccc12
InChIInChI=1S/C13H16N2O2S/c1-9(2)15-12-7-3-6-11-10(12)5-4-8-13(11)18(14,16)17/h3-9,15H,1-2H3,(H2,14,16,17)
InChIKeyDRJPHVUZLQFXBT-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.31
Rot. Bonds3

About 5-(propan-2-ylamino)naphthalene-1-sulfonamide

5-(propan-2-ylamino)naphthalene-1-sulfonamide (PubChem CID 174372810) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-(propan-2-ylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(propan-2-ylamino)naphthalene-1-sulfonamide
PubChem CID174372810
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-(propan-2-ylamino)naphthalene-1-sulfonamide
SMILESCC(C)Nc1cccc2c(S(N)(=O)=O)cccc12
InChIInChI=1S/C13H16N2O2S/c1-9(2)15-12-7-3-6-11-10(12)5-4-8-13(11)18(14,16)17/h3-9,15H,1-2H3,(H2,14,16,17)
InChIKeyDRJPHVUZLQFXBT-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)naphthalene-1-sulfonamide?
The IUPAC name of 5-(propan-2-ylamino)naphthalene-1-sulfonamide (CID 174372810) is 5-(propan-2-ylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(propan-2-ylamino)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(propan-2-ylamino)naphthalene-1-sulfonamide is CC(C)Nc1cccc2c(S(N)(=O)=O)cccc12.
What is the InChIKey of 5-(propan-2-ylamino)naphthalene-1-sulfonamide?
The InChIKey is DRJPHVUZLQFXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)15-12-7-3-6-11-10(12)5-4-8-13(11)18(14,16)17/h3-9,15H,1-2H3,(H2,14,16,17).
What are the key properties of 5-(propan-2-ylamino)naphthalene-1-sulfonamide?
5-(propan-2-ylamino)naphthalene-1-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 174372810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).