5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide

C15H16ClN3O2S3 — CID 122161392

IUPAC5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(C(CNS(=O)(=O)c2ccc(Cl)s2)c2ccsc2)n1
InChIInChI=1S/C15H16ClN3O2S3/c1-10-7-11(2)19(18-10)13(12-5-6-22-9-12)8-17-24(20,21)15-4-3-14(16)23-15/h3-7,9,13,17H,8H2,1-2H3
InChIKeyCWEAFFVIYYYDJU-UHFFFAOYSA-N
MW401.97 g/mol
LogP3.84
Rot. Bonds6

About 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 122161392) has the molecular formula C15H16ClN3O2S3 and a molecular weight of 401.97 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
PubChem CID122161392
Molecular FormulaC15H16ClN3O2S3
Molecular Weight401.97 g/mol
Exact Mass401.01
IUPAC Name5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(C(CNS(=O)(=O)c2ccc(Cl)s2)c2ccsc2)n1
InChIInChI=1S/C15H16ClN3O2S3/c1-10-7-11(2)19(18-10)13(12-5-6-22-9-12)8-17-24(20,21)15-4-3-14(16)23-15/h3-7,9,13,17H,8H2,1-2H3
InChIKeyCWEAFFVIYYYDJU-UHFFFAOYSA-N
XLogP3.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.97
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 122161397
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207528
3,5-dimethyl-1-(2-nitro-1-thiophen-3-ylethyl)pyrazole
CID 154581442
5-methyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606719
5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606723
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide
CID 16933255
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 122264781
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,4-dimethylbenzenesulfonamide
CID 122264793
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide
CID 126850924
5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
CID 121133888
5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide
CID 97104370

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (CID 122161392) is 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is Cc1cc(C)n(C(CNS(=O)(=O)c2ccc(Cl)s2)c2ccsc2)n1.
What is the InChIKey of 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is CWEAFFVIYYYDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S3/c1-10-7-11(2)19(18-10)13(12-5-6-22-9-12)8-17-24(20,21)15-4-3-14(16)23-15/h3-7,9,13,17H,8H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 401.97 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122161392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).