N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide

C12H14ClN3O2S — CID 102692460

IUPACN-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccn[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3O2S/c1-2-11(9-4-3-5-10(13)8-9)16-19(17,18)12-6-7-14-15-12/h3-8,11,16H,2H2,1H3,(H,14,15)
InChIKeyNHZDHQLLEQXEID-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.49
Rot. Bonds5

About N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide

N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692460) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692460
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccn[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3O2S/c1-2-11(9-4-3-5-10(13)8-9)16-19(17,18)12-6-7-14-15-12/h3-8,11,16H,2H2,1H3,(H,14,15)
InChIKeyNHZDHQLLEQXEID-UHFFFAOYSA-N
XLogP2.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
CID 107863427
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
CID 102690630
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691931
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
N-[1-(3-chlorophenyl)propyl]pent-1-yn-3-amine
CID 106224494
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide (CID 102692460) is N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide is CCC(NS(=O)(=O)c1ccn[nH]1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is NHZDHQLLEQXEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-2-11(9-4-3-5-10(13)8-9)16-19(17,18)12-6-7-14-15-12/h3-8,11,16H,2H2,1H3,(H,14,15).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide?
N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).