3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide

C19H23N3O3S — CID 99943607

IUPAC3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide
SMILESCC[C@@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1
InChIInChI=1S/C19H23N3O3S/c1-3-18(16-8-5-10-20-14-16)21(2)26(24,25)17-9-4-7-15(13-17)19(23)22-11-6-12-22/h4-5,7-10,13-14,18H,3,6,11-12H2,1-2H3/t18-/m0/s1
InChIKeyONSBHTDBTWFSNL-SFHVURJKSA-N
MW373.48 g/mol
LogP2.70
Rot. Bonds6

About 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide

3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide (PubChem CID 99943607) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide
PubChem CID99943607
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide
SMILESCC[C@@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1
InChIInChI=1S/C19H23N3O3S/c1-3-18(16-8-5-10-20-14-16)21(2)26(24,25)17-9-4-7-15(13-17)19(23)22-11-6-12-22/h4-5,7-10,13-14,18H,3,6,11-12H2,1-2H3/t18-/m0/s1
InChIKeyONSBHTDBTWFSNL-SFHVURJKSA-N
XLogP2.70
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133
N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide
CID 71912542
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 9228437
3-(azetidine-1-carbonyl)-N-methyl-N-(thian-4-yl)benzenesulfonamide
CID 77083695
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
3-(1,4-diazepane-1-carbonyl)-N,N-diethylbenzenesulfonamide;hydrochloride
CID 119416501
N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119396945
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 9152175

Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide (CID 99943607) is 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide is CC[C@@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1.
What is the InChIKey of 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide?
The InChIKey is ONSBHTDBTWFSNL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-18(16-8-5-10-20-14-16)21(2)26(24,25)17-9-4-7-15(13-17)19(23)22-11-6-12-22/h4-5,7-10,13-14,18H,3,6,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide?
3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]benzenesulfonamide is sourced from PubChem (CID 99943607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).