4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide

C14H16N4O2S — CID 106833536

IUPAC4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cnn(C)c2C)ccc1C#N
InChIInChI=1S/C14H16N4O2S/c1-10-6-14(5-4-12(10)7-15)21(19,20)17-9-13-8-16-18(3)11(13)2/h4-6,8,17H,9H2,1-3H3
InChIKeyCUWQTMMEDDKENM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.39
Rot. Bonds4

About 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide

4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide (PubChem CID 106833536) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide
PubChem CID106833536
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cnn(C)c2C)ccc1C#N
InChIInChI=1S/C14H16N4O2S/c1-10-6-14(5-4-12(10)7-15)21(19,20)17-9-13-8-16-18(3)11(13)2/h4-6,8,17H,9H2,1-3H3
InChIKeyCUWQTMMEDDKENM-UHFFFAOYSA-N
XLogP1.39
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044385
4-(bromomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106041696
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]benzenecarbothioamide
CID 106035645
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044391
N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
4-cyano-3-methyl-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 106833079
6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106049660

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide (CID 106833536) is 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCc2cnn(C)c2C)ccc1C#N.
What is the InChIKey of 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is CUWQTMMEDDKENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-10-6-14(5-4-12(10)7-15)21(19,20)17-9-13-8-16-18(3)11(13)2/h4-6,8,17H,9H2,1-3H3.
What are the key properties of 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide?
4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 106833536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).