2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide

C13H18N4O3S — CID 116800594

IUPAC2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cnn(C(C)C)c2)cc1N
InChIInChI=1S/C13H18N4O3S/c1-9(2)17-8-11(7-16-17)20-10-4-5-13(12(14)6-10)21(18,19)15-3/h4-9,15H,14H2,1-3H3
InChIKeyKYCNBFPPVKSGMC-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide

2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide (PubChem CID 116800594) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
PubChem CID116800594
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cnn(C(C)C)c2)cc1N
InChIInChI=1S/C13H18N4O3S/c1-9(2)17-8-11(7-16-17)20-10-4-5-13(12(14)6-10)21(18,19)15-3/h4-9,15H,14H2,1-3H3
InChIKeyKYCNBFPPVKSGMC-UHFFFAOYSA-N
XLogP1.75
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.75
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

2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 80641737
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide
CID 106596553
2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 80646385
5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800505
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800610
5-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801286
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 114079106

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide (CID 116800594) is 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2cnn(C(C)C)c2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide?
The InChIKey is KYCNBFPPVKSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9(2)17-8-11(7-16-17)20-10-4-5-13(12(14)6-10)21(18,19)15-3/h4-9,15H,14H2,1-3H3.
What are the key properties of 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide?
2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide is sourced from PubChem (CID 116800594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).