N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide

C17H15N3O3S2 — CID 90625661

IUPACN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide
SMILESO=C1NCCCc2nc(NS(=O)(=O)c3cccc4ccccc34)sc21
InChIInChI=1S/C17H15N3O3S2/c21-16-15-13(8-4-10-18-16)19-17(24-15)20-25(22,23)14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7,9H,4,8,10H2,(H,18,21)(H,19,20)
InChIKeySRGXXBIJQONKIJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.77
Rot. Bonds3

About N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide

N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide (PubChem CID 90625661) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide
PubChem CID90625661
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide
SMILESO=C1NCCCc2nc(NS(=O)(=O)c3cccc4ccccc34)sc21
InChIInChI=1S/C17H15N3O3S2/c21-16-15-13(8-4-10-18-16)19-17(24-15)20-25(22,23)14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7,9H,4,8,10H2,(H,18,21)(H,19,20)
InChIKeySRGXXBIJQONKIJ-UHFFFAOYSA-N
XLogP2.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide (CID 90625661) is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide is O=C1NCCCc2nc(NS(=O)(=O)c3cccc4ccccc34)sc21.
What is the InChIKey of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide?
The InChIKey is SRGXXBIJQONKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c21-16-15-13(8-4-10-18-16)19-17(24-15)20-25(22,23)14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7,9H,4,8,10H2,(H,18,21)(H,19,20).
What are the key properties of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide?
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide has a molecular weight of 373.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 90625661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).