N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide

C9H10BrClN2O2S — CID 66186086

IUPACN-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CNC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O2S/c10-6-1-2-9(8(11)3-6)16(14,15)13-7-4-12-5-7/h1-3,7,12-13H,4-5H2
InChIKeyCFTLUIIWFUJWCN-UHFFFAOYSA-N
MW325.62 g/mol
LogP1.35
Rot. Bonds3

About N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide

N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 66186086) has the molecular formula C9H10BrClN2O2S and a molecular weight of 325.62 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
PubChem CID66186086
Molecular FormulaC9H10BrClN2O2S
Molecular Weight325.62 g/mol
Exact Mass323.93
IUPAC NameN-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CNC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O2S/c10-6-1-2-9(8(11)3-6)16(14,15)13-7-4-12-5-7/h1-3,7,12-13H,4-5H2
InChIKeyCFTLUIIWFUJWCN-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 115695674
4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
CID 63362034
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide
CID 122150384
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282
N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide
CID 91647304
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631524
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62963448
4-bromo-2,6-dichloro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 95400196

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide (CID 66186086) is N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide is O=S(=O)(NC1CNC1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is CFTLUIIWFUJWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2S/c10-6-1-2-9(8(11)3-6)16(14,15)13-7-4-12-5-7/h1-3,7,12-13H,4-5H2.
What are the key properties of N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide?
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide has a molecular weight of 325.62 g/mol, XLogP of 1.35, 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)-4-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 66186086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).