N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide

C19H15ClN4O2S — CID 143400098

IUPACN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2ccccc12
InChIInChI=1S/C19H15ClN4O2S/c20-16-9-8-15(13-24-11-10-21-23-24)18(12-16)22-27(25,26)19-7-3-5-14-4-1-2-6-17(14)19/h1-12,22H,13H2
InChIKeyBXBAKAFLFOUXFO-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.93
Rot. Bonds5

About N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide

N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide (PubChem CID 143400098) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide
PubChem CID143400098
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2ccccc12
InChIInChI=1S/C19H15ClN4O2S/c20-16-9-8-15(13-24-11-10-21-23-24)18(12-16)22-27(25,26)19-7-3-5-14-4-1-2-6-17(14)19/h1-12,22H,13H2
InChIKeyBXBAKAFLFOUXFO-UHFFFAOYSA-N
XLogP3.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide (CID 143400098) is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2ccccc12.
What is the InChIKey of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide?
The InChIKey is BXBAKAFLFOUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-16-9-8-15(13-24-11-10-21-23-24)18(12-16)22-27(25,26)19-7-3-5-14-4-1-2-6-17(14)19/h1-12,22H,13H2.
What are the key properties of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide?
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide has a molecular weight of 398.88 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 143400098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).