[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine

C12H17ClN2O4S — CID 114398495

IUPAC[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCOC(CN)C2)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-18-12-3-2-10(6-11(12)13)20(16,17)15-4-5-19-9(7-14)8-15/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyCISDASHUSGIHNQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.70
Rot. Bonds4

About [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine

[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine (PubChem CID 114398495) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
PubChem CID114398495
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCOC(CN)C2)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-18-12-3-2-10(6-11(12)13)20(16,17)15-4-5-19-9(7-14)8-15/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyCISDASHUSGIHNQ-UHFFFAOYSA-N
XLogP0.70
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398431
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398346
2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
CID 81212002
2-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110326908
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576375
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471
4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine
CID 3870387
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine (CID 114398495) is [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine is COc1ccc(S(=O)(=O)N2CCOC(CN)C2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine?
The InChIKey is CISDASHUSGIHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-18-12-3-2-10(6-11(12)13)20(16,17)15-4-5-19-9(7-14)8-15/h2-3,6,9H,4-5,7-8,14H2,1H3.
What are the key properties of [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine?
[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine has a molecular weight of 320.80 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114398495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).