2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide

C19H26N4O2S — CID 143221771

IUPAC2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide
SMILESC=NNc1cccc(NCC(C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H26N4O2S/c1-13-9-14(2)19(15(3)10-13)26(24,25)23-16(4)12-21-17-7-6-8-18(11-17)22-20-5/h6-11,16,21-23H,5,12H2,1-4H3
InChIKeyIKOGKSNAEPOAAI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.42
Rot. Bonds8

About 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide (PubChem CID 143221771) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide
PubChem CID143221771
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide
SMILESC=NNc1cccc(NCC(C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H26N4O2S/c1-13-9-14(2)19(15(3)10-13)26(24,25)23-16(4)12-21-17-7-6-8-18(11-17)22-20-5/h6-11,16,21-23H,5,12H2,1-4H3
InChIKeyIKOGKSNAEPOAAI-UHFFFAOYSA-N
XLogP3.42
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide (CID 143221771) is 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide is C=NNc1cccc(NCC(C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide?
The InChIKey is IKOGKSNAEPOAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-9-14(2)19(15(3)10-13)26(24,25)23-16(4)12-21-17-7-6-8-18(11-17)22-20-5/h6-11,16,21-23H,5,12H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[1-[3-(2-methylidenehydrazinyl)anilino]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 143221771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).