N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide

C12H15ClN4O3S — CID 79529149

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCc1cnn(C)c1N
InChIInChI=1S/C12H15ClN4O3S/c1-17-12(14)8(6-15-17)7-16-21(18,19)11-4-3-9(13)5-10(11)20-2/h3-6,16H,7,14H2,1-2H3
InChIKeyXLSCIKJMQSTUMQ-UHFFFAOYSA-N
MW330.80 g/mol
LogP1.14
Rot. Bonds5

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide (PubChem CID 79529149) has the molecular formula C12H15ClN4O3S and a molecular weight of 330.80 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide
PubChem CID79529149
Molecular FormulaC12H15ClN4O3S
Molecular Weight330.80 g/mol
Exact Mass330.06
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NCc1cnn(C)c1N
InChIInChI=1S/C12H15ClN4O3S/c1-17-12(14)8(6-15-17)7-16-21(18,19)11-4-3-9(13)5-10(11)20-2/h3-6,16H,7,14H2,1-2H3
InChIKeyXLSCIKJMQSTUMQ-UHFFFAOYSA-N
XLogP1.14
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 79524389
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 79524048
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529154
methyl 3-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 79529174
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 79523433
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide (CID 79529149) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)NCc1cnn(C)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide?
The InChIKey is XLSCIKJMQSTUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3S/c1-17-12(14)8(6-15-17)7-16-21(18,19)11-4-3-9(13)5-10(11)20-2/h3-6,16H,7,14H2,1-2H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide has a molecular weight of 330.80 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 79529149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).