N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide

C13H14ClF2N3O2S — CID 22207431

IUPACN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
SMILESCc1c(Cl)cnn1CCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14ClF2N3O2S/c1-9-11(14)8-17-19(9)6-2-5-18-22(20,21)10-3-4-12(15)13(16)7-10/h3-4,7-8,18H,2,5-6H2,1H3
InChIKeyXTQZCDVXEIWSBX-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.49
Rot. Bonds6

About N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide

N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide (PubChem CID 22207431) has the molecular formula C13H14ClF2N3O2S and a molecular weight of 349.79 g/mol. Its IUPAC name is N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
PubChem CID22207431
Molecular FormulaC13H14ClF2N3O2S
Molecular Weight349.79 g/mol
Exact Mass349.05
IUPAC NameN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
SMILESCc1c(Cl)cnn1CCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14ClF2N3O2S/c1-9-11(14)8-17-19(9)6-2-5-18-22(20,21)10-3-4-12(15)13(16)7-10/h3-4,7-8,18H,2,5-6H2,1H3
InChIKeyXTQZCDVXEIWSBX-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-3,4-dimethylbenzenesulfonamide
CID 22207421
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide
CID 22207426
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
CID 22207619
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 22207416
N-[4-[3-(4-chloro-5-methylpyrazol-1-yl)propylsulfamoyl]phenyl]acetamide
CID 22207442
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]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22207441
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2-nitrobenzenesulfonamide
CID 22207434
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]thiophene-2-sulfonamide
CID 22207435
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22207448
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033927

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide (CID 22207431) is N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide is Cc1c(Cl)cnn1CCCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is XTQZCDVXEIWSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N3O2S/c1-9-11(14)8-17-19(9)6-2-5-18-22(20,21)10-3-4-12(15)13(16)7-10/h3-4,7-8,18H,2,5-6H2,1H3.
What are the key properties of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide?
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 349.79 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 22207431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).