N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide

C13H15N5O2S — CID 79529154

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NCc1cnn(C)c1N
InChIInChI=1S/C13H15N5O2S/c1-9-3-4-10(6-14)5-12(9)21(19,20)17-8-11-7-16-18(2)13(11)15/h3-5,7,17H,8,15H2,1-2H3
InChIKeyQDIJRMQMIQANKH-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.66
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide (PubChem CID 79529154) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
PubChem CID79529154
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NCc1cnn(C)c1N
InChIInChI=1S/C13H15N5O2S/c1-9-3-4-10(6-14)5-12(9)21(19,20)17-8-11-7-16-18(2)13(11)15/h3-5,7,17H,8,15H2,1-2H3
InChIKeyQDIJRMQMIQANKH-UHFFFAOYSA-N
XLogP0.66
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529225
5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 115753827
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 79524389
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272938
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide
CID 79529149
methyl 3-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 79529174
N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 79523433
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
CID 79529172
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
CID 106996486
N-(4-aminobutyl)-5-cyano-2-methylbenzenesulfonamide;hydrochloride
CID 120583646
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 79524048

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide (CID 79529154) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)NCc1cnn(C)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide?
The InChIKey is QDIJRMQMIQANKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-9-3-4-10(6-14)5-12(9)21(19,20)17-8-11-7-16-18(2)13(11)15/h3-5,7,17H,8,15H2,1-2H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.66, 4 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]-5-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 79529154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).