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

C11H14ClN3O2S2 — CID 22207435

IUPACN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1c(Cl)cnn1CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H14ClN3O2S2/c1-9-10(12)8-13-15(9)6-3-5-14-19(16,17)11-4-2-7-18-11/h2,4,7-8,14H,3,5-6H2,1H3
InChIKeyLPIMDTFTLKBJNL-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.28
Rot. Bonds6

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

N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 22207435) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID22207435
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC NameN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1c(Cl)cnn1CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H14ClN3O2S2/c1-9-10(12)8-13-15(9)6-3-5-14-19(16,17)11-4-2-7-18-11/h2,4,7-8,14H,3,5-6H2,1H3
InChIKeyLPIMDTFTLKBJNL-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.28
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
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
CID 22207421
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-dimethoxybenzenesulfonamide
CID 22207426
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]-3,4-difluorobenzenesulfonamide
CID 22207431
N-[4-[3-(4-chloro-5-methylpyrazol-1-yl)propylsulfamoyl]phenyl]acetamide
CID 22207442
N-pentylthiophene-2-sulfonamide
CID 5150701
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (CID 22207435) is N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is Cc1c(Cl)cnn1CCCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is LPIMDTFTLKBJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S2/c1-9-10(12)8-13-15(9)6-3-5-14-19(16,17)11-4-2-7-18-11/h2,4,7-8,14H,3,5-6H2,1H3.
What are the key properties of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 319.84 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22207435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).