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

C12H16ClN3O2S2 — CID 22207528

IUPAC5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(CCCNS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C12H16ClN3O2S2/c1-9-8-10(2)16(15-9)7-3-6-14-20(17,18)12-5-4-11(13)19-12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyCAFQRQZIASHWBT-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.58
Rot. Bonds6

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

5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 22207528) has the molecular formula C12H16ClN3O2S2 and a molecular weight of 333.87 g/mol. Its IUPAC name is 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID22207528
Molecular FormulaC12H16ClN3O2S2
Molecular Weight333.87 g/mol
Exact Mass333.04
IUPAC Name5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(CCCNS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C12H16ClN3O2S2/c1-9-8-10(2)16(15-9)7-3-6-14-20(17,18)12-5-4-11(13)19-12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyCAFQRQZIASHWBT-UHFFFAOYSA-N
XLogP2.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
CID 61217770
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
3,4-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 110716709
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 122161392
5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide
CID 71793725
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325526
5-chloro-N-[2-[(2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 122150712
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
CID 63812244

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (CID 22207528) is 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is CAFQRQZIASHWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S2/c1-9-8-10(2)16(15-9)7-3-6-14-20(17,18)12-5-4-11(13)19-12/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 333.87 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22207528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).