2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride

C15H21ClN2O4S — CID 45156390

IUPAC2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)c(C)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C15H21ClN2O4S/c1-10-8-11(2)15(23(16,20)21)12(3)14(10)17-13(19)9-18-4-6-22-7-5-18/h8H,4-7,9H2,1-3H3,(H,17,19)
InChIKeyVLAYPHXXPNYZEK-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.81
Rot. Bonds4

About 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride

2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride (PubChem CID 45156390) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride
PubChem CID45156390
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)c(C)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C15H21ClN2O4S/c1-10-8-11(2)15(23(16,20)21)12(3)14(10)17-13(19)9-18-4-6-22-7-5-18/h8H,4-7,9H2,1-3H3,(H,17,19)
InChIKeyVLAYPHXXPNYZEK-UHFFFAOYSA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
2-[(2-morpholin-4-ylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27135445
5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 139237672
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylacetamide
CID 3069954
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27181214
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride (CID 45156390) is 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride is Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1NC(=O)CN1CCOCC1.
What is the InChIKey of 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride?
The InChIKey is VLAYPHXXPNYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-10-8-11(2)15(23(16,20)21)12(3)14(10)17-13(19)9-18-4-6-22-7-5-18/h8H,4-7,9H2,1-3H3,(H,17,19).
What are the key properties of 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride?
2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride has a molecular weight of 360.86 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-[(2-morpholin-4-ylacetyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 45156390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).