2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride

C12H16ClNO3S — CID 83271462

IUPAC2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
SMILESCc1ccc(CN2CCOCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClNO3S/c1-10-2-3-11(8-12(10)18(13,15)16)9-14-4-6-17-7-5-14/h2-3,8H,4-7,9H2,1H3
InChIKeyBYFUXOHUPAUTFH-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride

2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride (PubChem CID 83271462) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
PubChem CID83271462
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
SMILESCc1ccc(CN2CCOCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClNO3S/c1-10-2-3-11(8-12(10)18(13,15)16)9-14-4-6-17-7-5-14/h2-3,8H,4-7,9H2,1H3
InChIKeyBYFUXOHUPAUTFH-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271819
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 83272082
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
CID 154879948
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
4-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]morpholine
CID 123803734
5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride
CID 83271550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride?
The IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride (CID 83271462) is 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride is Cc1ccc(CN2CCOCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride?
The InChIKey is BYFUXOHUPAUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-10-2-3-11(8-12(10)18(13,15)16)9-14-4-6-17-7-5-14/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride?
2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride has a molecular weight of 289.78 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride is sourced from PubChem (CID 83271462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).