N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide

C24H24FN3O3S — CID 56944763

IUPACN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24FN3O3S/c25-20-6-8-22-23(16-20)31-27-24(22)18-9-12-28(13-10-18)14-11-26-32(29,30)21-7-5-17-3-1-2-4-19(17)15-21/h1-8,15-16,18,26H,9-14H2
InChIKeyUBEFEBGEUSHFSH-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.28
Rot. Bonds6

About N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide

N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide (PubChem CID 56944763) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide
PubChem CID56944763
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC NameN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24FN3O3S/c25-20-6-8-22-23(16-20)31-27-24(22)18-9-12-28(13-10-18)14-11-26-32(29,30)21-7-5-17-3-1-2-4-19(17)15-21/h1-8,15-16,18,26H,9-14H2
InChIKeyUBEFEBGEUSHFSH-UHFFFAOYSA-N
XLogP4.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide (CID 56944763) is N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide is O=S(=O)(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is UBEFEBGEUSHFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c25-20-6-8-22-23(16-20)31-27-24(22)18-9-12-28(13-10-18)14-11-26-32(29,30)21-7-5-17-3-1-2-4-19(17)15-21/h1-8,15-16,18,26H,9-14H2.
What are the key properties of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide?
N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 453.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 56944763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).