N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide

C11H14N4O3S — CID 54903401

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H14N4O3S/c1-18-11-3-2-9(12)4-8(11)5-15-19(16,17)10-6-13-14-7-10/h2-4,6-7,15H,5,12H2,1H3,(H,13,14)
InChIKeyMRJBCBNTJHWMMY-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.48
Rot. Bonds5

About N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide

N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54903401) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID54903401
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H14N4O3S/c1-18-11-3-2-9(12)4-8(11)5-15-19(16,17)10-6-13-14-7-10/h2-4,6-7,15H,5,12H2,1H3,(H,13,14)
InChIKeyMRJBCBNTJHWMMY-UHFFFAOYSA-N
XLogP0.48
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
3-(aminomethyl)-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106015927
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
N-[(2,5-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 63373518
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62050435
N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099528
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 54903496

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide (CID 54903401) is N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide is COc1ccc(N)cc1CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is MRJBCBNTJHWMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-18-11-3-2-9(12)4-8(11)5-15-19(16,17)10-6-13-14-7-10/h2-4,6-7,15H,5,12H2,1H3,(H,13,14).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54903401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).