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

C14H16ClF2N3O2S — CID 22207619

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
SMILESCc1nn(CCCNS(=O)(=O)c2ccc(F)c(F)c2)c(C)c1Cl
InChIInChI=1S/C14H16ClF2N3O2S/c1-9-14(15)10(2)20(19-9)7-3-6-18-23(21,22)11-4-5-12(16)13(17)8-11/h4-5,8,18H,3,6-7H2,1-2H3
InChIKeyGZECZSIFBXMTRA-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.80
Rot. Bonds6

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

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide (PubChem CID 22207619) has the molecular formula C14H16ClF2N3O2S and a molecular weight of 363.82 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
PubChem CID22207619
Molecular FormulaC14H16ClF2N3O2S
Molecular Weight363.82 g/mol
Exact Mass363.06
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
SMILESCc1nn(CCCNS(=O)(=O)c2ccc(F)c(F)c2)c(C)c1Cl
InChIInChI=1S/C14H16ClF2N3O2S/c1-9-14(15)10(2)20(19-9)7-3-6-18-23(21,22)11-4-5-12(16)13(17)8-11/h4-5,8,18H,3,6-7H2,1-2H3
InChIKeyGZECZSIFBXMTRA-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.80
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-difluorobenzenesulfonamide
CID 22207431
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 16877071
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207611
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033927
4-bromo-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22208601
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
CID 5100609
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22207634
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
CID 22207421
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-ethoxybenzenesulfonamide
CID 22208605
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide (CID 22207619) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide is Cc1nn(CCCNS(=O)(=O)c2ccc(F)c(F)c2)c(C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is GZECZSIFBXMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N3O2S/c1-9-14(15)10(2)20(19-9)7-3-6-18-23(21,22)11-4-5-12(16)13(17)8-11/h4-5,8,18H,3,6-7H2,1-2H3.
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 363.82 g/mol, XLogP of 2.80, 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-3,5-dimethylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 22207619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).