[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C12H17ClN2O4S — CID 102931885

IUPAC[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(N)c2)CC(CO)O1
InChIInChI=1S/C12H17ClN2O4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9,16H,5-7,14H2,1H3
InChIKeyLBZMSMHIGGKSGS-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.69
Rot. Bonds3

About [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102931885) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102931885
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(N)c2)CC(CO)O1
InChIInChI=1S/C12H17ClN2O4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9,16H,5-7,14H2,1H3
InChIKeyLBZMSMHIGGKSGS-UHFFFAOYSA-N
XLogP0.69
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 102932309
2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 102938072
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579
4-chloro-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932848
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102931885) is [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)c2ccc(Cl)c(N)c2)CC(CO)O1.
What is the InChIKey of [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is LBZMSMHIGGKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)10-2-3-11(13)12(14)4-10/h2-4,8-9,16H,5-7,14H2,1H3.
What are the key properties of [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 320.80 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102931885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).