2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide

C13H17N3O2S — CID 55231822

IUPAC2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)19(17,18)16-11-6-4-5-10(9-11)12-7-8-14-15-12/h4-9,16H,1-3H3,(H,14,15)
InChIKeyIORCTLAHCSTUDU-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.62
Rot. Bonds3

About 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide

2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide (PubChem CID 55231822) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
PubChem CID55231822
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)19(17,18)16-11-6-4-5-10(9-11)12-7-8-14-15-12/h4-9,16H,1-3H3,(H,14,15)
InChIKeyIORCTLAHCSTUDU-UHFFFAOYSA-N
XLogP2.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
3-methoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propane-1-sulfonamide
CID 63287844
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 47062849
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 115949454
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide (CID 55231822) is 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide?
The InChIKey is IORCTLAHCSTUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(2,3)19(17,18)16-11-6-4-5-10(9-11)12-7-8-14-15-12/h4-9,16H,1-3H3,(H,14,15).
What are the key properties of 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide?
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 55231822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).