N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide

C13H16ClN3O2S — CID 61275711

IUPACN-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn[nH]c1C)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2S/c1-3-12(10-4-6-11(14)7-5-10)17-20(18,19)13-8-15-16-9(13)2/h4-8,12,17H,3H2,1-2H3,(H,15,16)
InChIKeyWJXYHSBCCWYBTO-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61275711) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61275711
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn[nH]c1C)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2S/c1-3-12(10-4-6-11(14)7-5-10)17-20(18,19)13-8-15-16-9(13)2/h4-8,12,17H,3H2,1-2H3,(H,15,16)
InChIKeyWJXYHSBCCWYBTO-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61249472
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106833768
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 106055074
2-amino-5-chloro-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
CID 97239897
N-(2-chloro-3-ethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106288856
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 61275711) is N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cn[nH]c1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is WJXYHSBCCWYBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-3-12(10-4-6-11(14)7-5-10)17-20(18,19)13-8-15-16-9(13)2/h4-8,12,17H,3H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).