N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide

C10H12ClFN2O2S — CID 122150384

IUPACN-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CNC2)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O2S/c1-6-2-10(8(11)3-9(6)12)17(15,16)14-7-4-13-5-7/h2-3,7,13-14H,4-5H2,1H3
InChIKeyODTFDDHLJLBREY-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.04
Rot. Bonds3

About N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide

N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide (PubChem CID 122150384) has the molecular formula C10H12ClFN2O2S and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide
PubChem CID122150384
Molecular FormulaC10H12ClFN2O2S
Molecular Weight278.74 g/mol
Exact Mass278.03
IUPAC NameN-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CNC2)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O2S/c1-6-2-10(8(11)3-9(6)12)17(15,16)14-7-4-13-5-7/h2-3,7,13-14H,4-5H2,1H3
InChIKeyODTFDDHLJLBREY-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-5-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665189
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086
2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide
CID 165483617
2-chloro-5-fluoro-4-methylbenzenesulfonohydrazide
CID 171366796
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119967769
N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119962035
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978143
N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide
CID 91647304
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide (CID 122150384) is N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CNC2)c(Cl)cc1F.
What is the InChIKey of N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide?
The InChIKey is ODTFDDHLJLBREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S/c1-6-2-10(8(11)3-9(6)12)17(15,16)14-7-4-13-5-7/h2-3,7,13-14H,4-5H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide?
N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide has a molecular weight of 278.74 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 122150384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).