N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide

C20H16ClN3O2S — CID 4775946

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16ClN3O2S/c21-18-7-3-4-15(12-18)14-24-11-10-20(22-24)23-27(25,26)19-9-8-16-5-1-2-6-17(16)13-19/h1-13H,14H2,(H,22,23)
InChIKeyYFTLJABQROLLQB-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.54
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide (PubChem CID 4775946) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
PubChem CID4775946
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16ClN3O2S/c21-18-7-3-4-15(12-18)14-24-11-10-20(22-24)23-27(25,26)19-9-8-16-5-1-2-6-17(16)13-19/h1-13H,14H2,(H,22,23)
InChIKeyYFTLJABQROLLQB-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide (CID 4775946) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide?
The InChIKey is YFTLJABQROLLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c21-18-7-3-4-15(12-18)14-24-11-10-20(22-24)23-27(25,26)19-9-8-16-5-1-2-6-17(16)13-19/h1-13H,14H2,(H,22,23).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide has a molecular weight of 397.89 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 4775946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).