N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

C16H23N3O2S — CID 22771503

IUPACN,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C16H23N3O2S/c1-11-7-8-15(9-12(11)2)22(20,21)18(5)10-16-13(3)17-19(6)14(16)4/h7-9H,10H2,1-6H3
InChIKeyIBAIDQRGJFJZHZ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.47
Rot. Bonds4

About N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 22771503) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID22771503
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C16H23N3O2S/c1-11-7-8-15(9-12(11)2)22(20,21)18(5)10-16-13(3)17-19(6)14(16)4/h7-9H,10H2,1-6H3
InChIKeyIBAIDQRGJFJZHZ-UHFFFAOYSA-N
XLogP2.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 22771503) is N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1C.
What is the InChIKey of N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is IBAIDQRGJFJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-7-8-15(9-12(11)2)22(20,21)18(5)10-16-13(3)17-19(6)14(16)4/h7-9H,10H2,1-6H3.
What are the key properties of N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 22771503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).