N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide

C11H12ClN3O3S — CID 47177541

IUPACN-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H12ClN3O3S/c1-15-7-9(6-13-15)19(16,17)14-10-5-8(12)3-4-11(10)18-2/h3-7,14H,1-2H3
InChIKeyGFVBLWQEERBVQK-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.88
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide

N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 47177541) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID47177541
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H12ClN3O3S/c1-15-7-9(6-13-15)19(16,17)14-10-5-8(12)3-4-11(10)18-2/h3-7,14H,1-2H3
InChIKeyGFVBLWQEERBVQK-UHFFFAOYSA-N
XLogP1.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonamide
CID 106059592
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175986
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide (CID 47177541) is N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is GFVBLWQEERBVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-15-7-9(6-13-15)19(16,17)14-10-5-8(12)3-4-11(10)18-2/h3-7,14H,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 301.76 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 47177541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).