N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide

C19H22N4O3S — CID 75476264

IUPACN-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide
SMILESO=C(c1ccccc1-c1cncnc1)N1CC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C19H22N4O3S/c24-19(18-8-4-3-7-17(18)14-9-20-13-21-10-14)23-11-16(12-23)27(25,26)22-15-5-1-2-6-15/h3-4,7-10,13,15-16,22H,1-2,5-6,11-12H2
InChIKeyADDZCTQSWQSUTI-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.83
Rot. Bonds5

About N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide

N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide (PubChem CID 75476264) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide
PubChem CID75476264
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide
SMILESO=C(c1ccccc1-c1cncnc1)N1CC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C19H22N4O3S/c24-19(18-8-4-3-7-17(18)14-9-20-13-21-10-14)23-11-16(12-23)27(25,26)22-15-5-1-2-6-15/h3-4,7-10,13,15-16,22H,1-2,5-6,11-12H2
InChIKeyADDZCTQSWQSUTI-UHFFFAOYSA-N
XLogP1.83
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide
CID 75476262
N-cyclopropyl-1-(2-propoxybenzoyl)azetidine-3-sulfonamide
CID 166348882
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide
CID 136522204
(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348566
(3R)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348567
3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 75476054
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
CID 71809328
1-[2-(2-chlorophenyl)acetyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 126767287
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide
CID 122139119

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide (CID 75476264) is N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide is O=C(c1ccccc1-c1cncnc1)N1CC(S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide?
The InChIKey is ADDZCTQSWQSUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-19(18-8-4-3-7-17(18)14-9-20-13-21-10-14)23-11-16(12-23)27(25,26)22-15-5-1-2-6-15/h3-4,7-10,13,15-16,22H,1-2,5-6,11-12H2.
What are the key properties of N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide?
N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide is sourced from PubChem (CID 75476264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).