5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

C11H13Cl2N3O2S2 — CID 22207436

IUPAC5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1c(Cl)cnn1CCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13Cl2N3O2S2/c1-8-9(12)7-14-16(8)6-2-5-15-20(17,18)11-4-3-10(13)19-11/h3-4,7,15H,2,5-6H2,1H3
InChIKeyFKAVKIXLNDGBPA-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.93
Rot. Bonds6

About 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 22207436) has the molecular formula C11H13Cl2N3O2S2 and a molecular weight of 354.28 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID22207436
Molecular FormulaC11H13Cl2N3O2S2
Molecular Weight354.28 g/mol
Exact Mass352.98
IUPAC Name5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1c(Cl)cnn1CCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13Cl2N3O2S2/c1-8-9(12)7-14-16(8)6-2-5-15-20(17,18)11-4-3-10(13)19-11/h3-4,7,15H,2,5-6H2,1H3
InChIKeyFKAVKIXLNDGBPA-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.93
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

N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207435
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
CID 22207421
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207528
4-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207456
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 22207416
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22207448
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22207441
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2-nitrobenzenesulfonamide
CID 22207434
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
CID 22207431
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506
N-[4-[3-(4-chloro-5-methylpyrazol-1-yl)propylsulfamoyl]phenyl]acetamide
CID 22207442
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (CID 22207436) is 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is Cc1c(Cl)cnn1CCCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is FKAVKIXLNDGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2S2/c1-8-9(12)7-14-16(8)6-2-5-15-20(17,18)11-4-3-10(13)19-11/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 354.28 g/mol, XLogP of 2.93, 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-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22207436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).