4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline

C12H17ClN2O3S — CID 81201070

IUPAC4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline
SMILESCN1CCOC(CS(=O)(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C12H17ClN2O3S/c1-15-4-5-18-10(7-15)8-19(16,17)12-6-9(14)2-3-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyJPVXFVUHZYZHLG-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.03
Rot. Bonds3

About 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline

4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline (PubChem CID 81201070) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline
PubChem CID81201070
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline
SMILESCN1CCOC(CS(=O)(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C12H17ClN2O3S/c1-15-4-5-18-10(7-15)8-19(16,17)12-6-9(14)2-3-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyJPVXFVUHZYZHLG-UHFFFAOYSA-N
XLogP1.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
CID 79182901
2-chloro-4-[(4-methylmorpholin-2-yl)methylsulfonyl]benzoic acid
CID 107090402
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(4-methylmorpholin-2-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 167944826
2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710630
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
3-(2-ethylmorpholin-4-yl)sulfonyl-4-nitroaniline
CID 62146105
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
(4-methylmorpholin-2-yl)methyl 4-amino-2-methylbenzoate
CID 79182043
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 28542859

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline?
The IUPAC name of 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline (CID 81201070) is 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline.
What is the SMILES notation for 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline?
The canonical SMILES for 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline is CN1CCOC(CS(=O)(=O)c2cc(N)ccc2Cl)C1.
What is the InChIKey of 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline?
The InChIKey is JPVXFVUHZYZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-15-4-5-18-10(7-15)8-19(16,17)12-6-9(14)2-3-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3.
What are the key properties of 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline?
4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline has a molecular weight of 304.80 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline is sourced from PubChem (CID 81201070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).