1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide

C18H21N3O3S — CID 97344432

IUPAC1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide
SMILESC[C@H](c1ccncc1)N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H21N3O3S/c1-14(15-8-10-19-11-9-15)20(2)25(23,24)17-12-21(13-17)18(22)16-6-4-3-5-7-16/h3-11,14,17H,12-13H2,1-2H3/t14-/m1/s1
InChIKeyKKVWXCFGNNIUGU-CQSZACIVSA-N
MW359.45 g/mol
LogP1.93
Rot. Bonds5

About 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide

1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide (PubChem CID 97344432) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide
PubChem CID97344432
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide
SMILESC[C@H](c1ccncc1)N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H21N3O3S/c1-14(15-8-10-19-11-9-15)20(2)25(23,24)17-12-21(13-17)18(22)16-6-4-3-5-7-16/h3-11,14,17H,12-13H2,1-2H3/t14-/m1/s1
InChIKeyKKVWXCFGNNIUGU-CQSZACIVSA-N
XLogP1.93
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide?
The IUPAC name of 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide (CID 97344432) is 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide.
What is the SMILES notation for 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide?
The canonical SMILES for 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide is C[C@H](c1ccncc1)N(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide?
The InChIKey is KKVWXCFGNNIUGU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14(15-8-10-19-11-9-15)20(2)25(23,24)17-12-21(13-17)18(22)16-6-4-3-5-7-16/h3-11,14,17H,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide?
1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide has a molecular weight of 359.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-sulfonamide is sourced from PubChem (CID 97344432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).