N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide

C12H18N2O4S — CID 51335175

IUPACN-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H18N2O4S/c1-17-12-4-2-11(3-5-12)10-13-19(15,16)14-6-8-18-9-7-14/h2-5,13H,6-10H2,1H3
InChIKeyPXFNLFLBHCCLFW-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.36
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide

N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide (PubChem CID 51335175) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide
PubChem CID51335175
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H18N2O4S/c1-17-12-4-2-11(3-5-12)10-13-19(15,16)14-6-8-18-9-7-14/h2-5,13H,6-10H2,1H3
InChIKeyPXFNLFLBHCCLFW-UHFFFAOYSA-N
XLogP0.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
N-[(4-chlorophenyl)methyl]morpholine-4-sulfonamide
CID 51335123
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921
1-[(4-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271569
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 94249243
N-[4-[(morpholin-4-ylsulfonylamino)methyl]phenyl]furan-2-carboxamide
CID 55515575
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide (CID 51335175) is N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide is COc1ccc(CNS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide?
The InChIKey is PXFNLFLBHCCLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-12-4-2-11(3-5-12)10-13-19(15,16)14-6-8-18-9-7-14/h2-5,13H,6-10H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide?
N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 51335175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).