N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide

C10H13BrN2O2S — CID 91647304

IUPACN-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide
SMILESCc1ccc(Br)c(S(=O)(=O)NC2CNC2)c1
InChIInChI=1S/C10H13BrN2O2S/c1-7-2-3-9(11)10(4-7)16(14,15)13-8-5-12-6-8/h2-4,8,12-13H,5-6H2,1H3
InChIKeyJLHZOZVLZKDNSI-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.01
Rot. Bonds3

About N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide

N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide (PubChem CID 91647304) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide
PubChem CID91647304
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC NameN-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide
SMILESCc1ccc(Br)c(S(=O)(=O)NC2CNC2)c1
InChIInChI=1S/C10H13BrN2O2S/c1-7-2-3-9(11)10(4-7)16(14,15)13-8-5-12-6-8/h2-4,8,12-13H,5-6H2,1H3
InChIKeyJLHZOZVLZKDNSI-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
(3aS,6aR)-5-(2-bromo-5-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665278
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide
CID 43597330
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2,5-dibromo-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716620
2-bromo-5-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625915
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 43417293
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 155201518

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide (CID 91647304) is N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide is Cc1ccc(Br)c(S(=O)(=O)NC2CNC2)c1.
What is the InChIKey of N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide?
The InChIKey is JLHZOZVLZKDNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-7-2-3-9(11)10(4-7)16(14,15)13-8-5-12-6-8/h2-4,8,12-13H,5-6H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide?
N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide has a molecular weight of 305.20 g/mol, XLogP of 1.01, 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-bromo-5-methylbenzenesulfonamide is sourced from PubChem (CID 91647304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).