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

C20H23N3O3S — CID 2908053

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
SMILESCc1cc(C)n(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C20H23N3O3S/c1-16-13-17(2)22(21-16)14-19(24)15-23(18-9-5-3-6-10-18)27(25,26)20-11-7-4-8-12-20/h3-13,19,24H,14-15H2,1-2H3
InChIKeyJIWKLZZNYQBJOH-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.76
Rot. Bonds7

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

N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide (PubChem CID 2908053) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
PubChem CID2908053
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
SMILESCc1cc(C)n(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C20H23N3O3S/c1-16-13-17(2)22(21-16)14-19(24)15-23(18-9-5-3-6-10-18)27(25,26)20-11-7-4-8-12-20/h3-13,19,24H,14-15H2,1-2H3
InChIKeyJIWKLZZNYQBJOH-UHFFFAOYSA-N
XLogP2.76
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(4-nitrophenyl)benzenesulfonamide
CID 40796337
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide
CID 1330392
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 40796334
N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 2909349
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylbenzenesulfonamide
CID 3133092
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 983510
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1320921
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1077008
N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 1077012
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3151264
N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1149863
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 2884140

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide (CID 2908053) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide is Cc1cc(C)n(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The InChIKey is JIWKLZZNYQBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-16-13-17(2)22(21-16)14-19(24)15-23(18-9-5-3-6-10-18)27(25,26)20-11-7-4-8-12-20/h3-13,19,24H,14-15H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-phenylbenzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.76, 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-phenylbenzenesulfonamide is sourced from PubChem (CID 2908053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).