N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide

C20H16N2O2S2 — CID 1363518

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cs1
InChIInChI=1S/C20H16N2O2S2/c1-14-21-20(13-25-14)17-7-4-8-18(11-17)22-26(23,24)19-10-9-15-5-2-3-6-16(15)12-19/h2-13,22H,1H3
InChIKeyMJWKYFFHCJWVGJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.07
Rot. Bonds4

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 1363518) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID1363518
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cs1
InChIInChI=1S/C20H16N2O2S2/c1-14-21-20(13-25-14)17-7-4-8-18(11-17)22-26(23,24)19-10-9-15-5-2-3-6-16(15)12-19/h2-13,22H,1H3
InChIKeyMJWKYFFHCJWVGJ-UHFFFAOYSA-N
XLogP5.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide (CID 1363518) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide is Cc1nc(-c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is MJWKYFFHCJWVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-14-21-20(13-25-14)17-7-4-8-18(11-17)22-26(23,24)19-10-9-15-5-2-3-6-16(15)12-19/h2-13,22H,1H3.
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1363518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).