N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide

C24H25N3O3S — CID 3145437

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
SMILESCc1cc(C)n(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C24H25N3O3S/c1-18-14-19(2)26(25-18)16-23(28)17-27(22-10-4-3-5-11-22)31(29,30)24-13-12-20-8-6-7-9-21(20)15-24/h3-15,23,28H,16-17H2,1-2H3
InChIKeyWPZBXCJHCWUDAV-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.91
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide (PubChem CID 3145437) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
PubChem CID3145437
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
SMILESCc1cc(C)n(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C24H25N3O3S/c1-18-14-19(2)26(25-18)16-23(28)17-27(22-10-4-3-5-11-22)31(29,30)24-13-12-20-8-6-7-9-21(20)15-24/h3-15,23,28H,16-17H2,1-2H3
InChIKeyWPZBXCJHCWUDAV-UHFFFAOYSA-N
XLogP3.91
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide (CID 3145437) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide is Cc1cc(C)n(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide?
The InChIKey is WPZBXCJHCWUDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-18-14-19(2)26(25-18)16-23(28)17-27(22-10-4-3-5-11-22)31(29,30)24-13-12-20-8-6-7-9-21(20)15-24/h3-15,23,28H,16-17H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide has a molecular weight of 435.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide is sourced from PubChem (CID 3145437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).