N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C19H21N3O2S — CID 20947404

IUPACN-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-15-6-9-17(10-7-15)22-25(23,24)19-12-16(8-5-13(19)2)18-11-14(3)20-21-18/h5-12,22H,4H2,1-3H3,(H,20,21)
InChIKeyKZFIRVPOKVVNCH-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.06
Rot. Bonds5

About N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 20947404) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID20947404
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)cc1
InChIInChI=1S/C19H21N3O2S/c1-4-15-6-9-17(10-7-15)22-25(23,24)19-12-16(8-5-13(19)2)18-11-14(3)20-21-18/h5-12,22H,4H2,1-3H3,(H,20,21)
InChIKeyKZFIRVPOKVVNCH-UHFFFAOYSA-N
XLogP4.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56680214
3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
CID 164619084
3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
4-(2-methyl-5-(5-neopentyl-1H-pyrazol-3-yl)phenylsulfonyl)morpholine
CID 44591241
4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591350
4-(5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591351
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792315
N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
CID 2091318
3-(1H-indazol-3-yl)benzenesulfonamide
CID 53389592
3-(5-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 53476530

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 20947404) is N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is KZFIRVPOKVVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-15-6-9-17(10-7-15)22-25(23,24)19-12-16(8-5-13(19)2)18-11-14(3)20-21-18/h5-12,22H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 20947404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).