N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide

C14H19N3O4S2 — CID 167825209

IUPACN-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)NS(=O)(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H19N3O4S2/c1-4-17-14(5-6-15-17)23(20,21)16-22(18,19)10-13-8-11(2)7-12(3)9-13/h5-9,16H,4,10H2,1-3H3
InChIKeyRDFGSIUPFZBEFM-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.33
Rot. Bonds6

About N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide

N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide (PubChem CID 167825209) has the molecular formula C14H19N3O4S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide
PubChem CID167825209
Molecular FormulaC14H19N3O4S2
Molecular Weight357.46 g/mol
Exact Mass357.08
IUPAC NameN-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)NS(=O)(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C14H19N3O4S2/c1-4-17-14(5-6-15-17)23(20,21)16-22(18,19)10-13-8-11(2)7-12(3)9-13/h5-9,16H,4,10H2,1-3H3
InChIKeyRDFGSIUPFZBEFM-UHFFFAOYSA-N
XLogP1.33
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
2-ethyl-N-[1-(4-methyl-2-pyridinyl)propyl]pyrazole-3-sulfonamide
CID 122556150
N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
CID 120713079
N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476
2-ethyl-N,N-dimethylpyrazole-3-sulfonamide
CID 130703242
2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
CID 120713883
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide
CID 122148653
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
CID 120712481
(2-ethylpyrazol-3-yl)methanesulfonic acid
CID 175919562
2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrazole-3-sulfonamide
CID 72879552
3-(2-ethylpyrazol-3-yl)-5-methylaniline
CID 107579556

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide (CID 167825209) is N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)NS(=O)(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide?
The InChIKey is RDFGSIUPFZBEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S2/c1-4-17-14(5-6-15-17)23(20,21)16-22(18,19)10-13-8-11(2)7-12(3)9-13/h5-9,16H,4,10H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide?
N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide has a molecular weight of 357.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide is sourced from PubChem (CID 167825209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).