N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C13H18N4O3S — CID 43603679

IUPACN-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H18N4O3S/c1-8-13(9(2)17(3)15-8)21(18,19)16-11-7-10(14)5-6-12(11)20-4/h5-7,16H,14H2,1-4H3
InChIKeyINOSHXBSPBZTIS-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.43
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 43603679) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID43603679
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H18N4O3S/c1-8-13(9(2)17(3)15-8)21(18,19)16-11-7-10(14)5-6-12(11)20-4/h5-7,16H,14H2,1-4H3
InChIKeyINOSHXBSPBZTIS-UHFFFAOYSA-N
XLogP1.43
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019
4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 45291030
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701
N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide
CID 53076096
5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 43603679) is N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is COc1ccc(N)cc1NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is INOSHXBSPBZTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-13(9(2)17(3)15-8)21(18,19)16-11-7-10(14)5-6-12(11)20-4/h5-7,16H,14H2,1-4H3.
What are the key properties of N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 43603679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).