4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide

C18H20N2O2S — CID 11899977

IUPAC4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-13-8-10-16(11-9-13)23(21,22)20-19-14(2)17-12-18(17)15-6-4-3-5-7-15/h3-11,17-18,20H,12H2,1-2H3/b19-14-/t17-,18-/m1/s1
InChIKeyCYTXZSSGRJWZNE-UEJLOKKHSA-N
MW328.44 g/mol
LogP3.45
Rot. Bonds5

About 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide

4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide (PubChem CID 11899977) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide
PubChem CID11899977
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-13-8-10-16(11-9-13)23(21,22)20-19-14(2)17-12-18(17)15-6-4-3-5-7-15/h3-11,17-18,20H,12H2,1-2H3/b19-14-/t17-,18-/m1/s1
InChIKeyCYTXZSSGRJWZNE-UEJLOKKHSA-N
XLogP3.45
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide (CID 11899977) is 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide?
The InChIKey is CYTXZSSGRJWZNE-UEJLOKKHSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-8-10-16(11-9-13)23(21,22)20-19-14(2)17-12-18(17)15-6-4-3-5-7-15/h3-11,17-18,20H,12H2,1-2H3/b19-14-/t17-,18-/m1/s1.
What are the key properties of 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide?
4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 11899977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).