1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

C16H22ClN3O3S — CID 121154164

IUPAC1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CC(N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C16H22ClN3O3S/c1-11-14(17)3-2-4-15(11)24(22,23)20-9-13(10-20)19-7-5-12(6-8-19)16(18)21/h2-4,12-13H,5-10H2,1H3,(H2,18,21)
InChIKeyNCIMJOCFHHCNIG-UHFFFAOYSA-N
MW371.89 g/mol
LogP1.22
Rot. Bonds4

About 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154164) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154164
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CC(N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C16H22ClN3O3S/c1-11-14(17)3-2-4-15(11)24(22,23)20-9-13(10-20)19-7-5-12(6-8-19)16(18)21/h2-4,12-13H,5-10H2,1H3,(H2,18,21)
InChIKeyNCIMJOCFHHCNIG-UHFFFAOYSA-N
XLogP1.22
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154210
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154153
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 121153678
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 119099937
1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154139
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]triazole
CID 91625250
1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154179
1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154148
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (CID 121154164) is 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CC(N2CCC(C(N)=O)CC2)C1.
What is the InChIKey of 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is NCIMJOCFHHCNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c1-11-14(17)3-2-4-15(11)24(22,23)20-9-13(10-20)19-7-5-12(6-8-19)16(18)21/h2-4,12-13H,5-10H2,1H3,(H2,18,21).
What are the key properties of 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).