N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide

C16H23N3O2S — CID 46353456

IUPACN,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H23N3O2S/c1-12-6-8-15(9-7-12)22(20,21)18(4)11-10-16-13(2)17-19(5)14(16)3/h6-9H,10-11H2,1-5H3
InChIKeyLMFPRXDMNPMKBF-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.21
Rot. Bonds5

About N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide

N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 46353456) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID46353456
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H23N3O2S/c1-12-6-8-15(9-7-12)22(20,21)18(4)11-10-16-13(2)17-19(5)14(16)3/h6-9H,10-11H2,1-5H3
InChIKeyLMFPRXDMNPMKBF-UHFFFAOYSA-N
XLogP2.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353522
N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 46353462
N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 46353506
3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
CID 46353509
5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 46353490
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503
4-[(2R)-butan-2-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26011051
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19614551
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 562690
4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86930090

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 46353456) is N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is LMFPRXDMNPMKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-6-8-15(9-7-12)22(20,21)18(4)11-10-16-13(2)17-19(5)14(16)3/h6-9H,10-11H2,1-5H3.
What are the key properties of N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide?
N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46353456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).