N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide

C20H15N3O3S2 — CID 2147590

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H15N3O3S2/c24-19(16-6-5-14-3-1-2-4-15(14)13-16)22-17-7-9-18(10-8-17)28(25,26)23-20-21-11-12-27-20/h1-13H,(H,21,23)(H,22,24)
InChIKeyBSPDITYLOGZHHD-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.35
Rot. Bonds5

About N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide (PubChem CID 2147590) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
PubChem CID2147590
Molecular FormulaC20H15N3O3S2
Molecular Weight409.49 g/mol
Exact Mass409.06
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H15N3O3S2/c24-19(16-6-5-14-3-1-2-4-15(14)13-16)22-17-7-9-18(10-8-17)28(25,26)23-20-21-11-12-27-20/h1-13H,(H,21,23)(H,22,24)
InChIKeyBSPDITYLOGZHHD-UHFFFAOYSA-N
XLogP4.35
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide (CID 2147590) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is BSPDITYLOGZHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S2/c24-19(16-6-5-14-3-1-2-4-15(14)13-16)22-17-7-9-18(10-8-17)28(25,26)23-20-21-11-12-27-20/h1-13H,(H,21,23)(H,22,24).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 2147590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).