4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide

C13H18N4O3S — CID 106103943

IUPAC4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2ccn(C)n2)ccc1N
InChIInChI=1S/C13H18N4O3S/c1-17-8-6-10(16-17)5-7-15-21(18,19)11-3-4-12(14)13(9-11)20-2/h3-4,6,8-9,15H,5,7,14H2,1-2H3
InChIKeyCUMMMIOVNSKOSV-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.53
Rot. Bonds6

About 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide

4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106103943) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106103943
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2ccn(C)n2)ccc1N
InChIInChI=1S/C13H18N4O3S/c1-17-8-6-10(16-17)5-7-15-21(18,19)11-3-4-12(14)13(9-11)20-2/h3-4,6,8-9,15H,5,7,14H2,1-2H3
InChIKeyCUMMMIOVNSKOSV-UHFFFAOYSA-N
XLogP0.53
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.53
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-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 7765645
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 11532288
N-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509138
N-(5-chloro-2-methoxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6470717
1-ethyl-N-(4-{[(2-methoxyphenyl)amino]sulfonyl}phenyl)-1H-pyrazole-3-carboxamide
CID 1008238
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509136
N-(2,5-dimethoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022082
N-(3-methoxyphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914763
N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6464697
N-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6464754
N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 69196876
4-{[4-(2-Methoxyphenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6466269

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide (CID 106103943) is 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide is COc1cc(S(=O)(=O)NCCc2ccn(C)n2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is CUMMMIOVNSKOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-17-8-6-10(16-17)5-7-15-21(18,19)11-3-4-12(14)13(9-11)20-2/h3-4,6,8-9,15H,5,7,14H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide?
4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106103943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).