N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide

C17H19N3O2S2 — CID 53130967

IUPACN-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCn1nccc1-c1csc(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C17H19N3O2S2/c1-4-20-16(7-8-18-20)14-10-17(23-11-14)24(21,22)19-15-9-12(2)5-6-13(15)3/h5-11,19H,4H2,1-3H3
InChIKeyNLWMTGQXQDNIOF-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.05
Rot. Bonds5

About N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide

N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 53130967) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID53130967
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCn1nccc1-c1csc(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C17H19N3O2S2/c1-4-20-16(7-8-18-20)14-10-17(23-11-14)24(21,22)19-15-9-12(2)5-6-13(15)3/h5-11,19H,4H2,1-3H3
InChIKeyNLWMTGQXQDNIOF-UHFFFAOYSA-N
XLogP4.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide (CID 53130967) is N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide is CCn1nccc1-c1csc(S(=O)(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is NLWMTGQXQDNIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-4-20-16(7-8-18-20)14-10-17(23-11-14)24(21,22)19-15-9-12(2)5-6-13(15)3/h5-11,19H,4H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide?
N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53130967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).