N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide

C11H12ClN3O3S — CID 47267974

IUPACN-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H12ClN3O3S/c1-2-18-11-4-3-8(12)5-10(11)15-19(16,17)9-6-13-14-7-9/h3-7,15H,2H2,1H3,(H,13,14)
InChIKeyWLOGUTWBUJWVAZ-UHFFFAOYSA-N
MW301.76 g/mol
LogP2.26
Rot. Bonds5

About N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide

N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267974) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267974
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H12ClN3O3S/c1-2-18-11-4-3-8(12)5-10(11)15-19(16,17)9-6-13-14-7-9/h3-7,15H,2H2,1H3,(H,13,14)
InChIKeyWLOGUTWBUJWVAZ-UHFFFAOYSA-N
XLogP2.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 54937402
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 63422726
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 126793474
N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299319
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 81280632

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide (CID 47267974) is N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide is CCOc1ccc(Cl)cc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WLOGUTWBUJWVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-2-18-11-4-3-8(12)5-10(11)15-19(16,17)9-6-13-14-7-9/h3-7,15H,2H2,1H3,(H,13,14).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide?
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 301.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).