N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine

C15H22Cl2N2O3S — CID 3048377

IUPACN,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCOC(N(CCCl)CCCl)C2)cc1
InChIInChI=1S/C15H22Cl2N2O3S/c1-13-2-4-14(5-3-13)23(20,21)19-10-11-22-15(12-19)18(8-6-16)9-7-17/h2-5,15H,6-12H2,1H3
InChIKeyDJPYUBOZKZSLFO-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.12
Rot. Bonds7

About N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine

N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine (PubChem CID 3048377) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine
PubChem CID3048377
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC NameN,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCOC(N(CCCl)CCCl)C2)cc1
InChIInChI=1S/C15H22Cl2N2O3S/c1-13-2-4-14(5-3-13)23(20,21)19-10-11-22-15(12-19)18(8-6-16)9-7-17/h2-5,15H,6-12H2,1H3
InChIKeyDJPYUBOZKZSLFO-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-((4-Methylphenyl)sulphonyl)morpholine
CID 80645
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
3-[(4-Methylphenyl)sulfonyl]-2-(trichloromethyl)-1,3-oxazolidine
CID 3115452
2,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242497
4-(4-Isopropyl-benzenesulfonyl)-morpholine
CID 812402
Benzenesulfonamide, 4-methyl-N-[2-chloro-1-(4-morpholyl)ethyl]-
CID 9600677
4-(3-(Chloromethyl)benzenesulfonyl)morpholine
CID 2160995
2-Chloro-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethan-1-one
CID 2051960
4-[4-(Toluene-4-sulfonyl)-piperazine-1-sulfonyl]-morpholine
CID 1091476
4-methyl-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 262188
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342
4-[4-(2-Methylpropyl)phenyl]sulfonylmorpholine
CID 4144026

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine?
The IUPAC name of N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine (CID 3048377) is N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine.
What is the SMILES notation for N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine?
The canonical SMILES for N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine is Cc1ccc(S(=O)(=O)N2CCOC(N(CCCl)CCCl)C2)cc1.
What is the InChIKey of N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine?
The InChIKey is DJPYUBOZKZSLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-13-2-4-14(5-3-13)23(20,21)19-10-11-22-15(12-19)18(8-6-16)9-7-17/h2-5,15H,6-12H2,1H3.
What are the key properties of N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine?
N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine has a molecular weight of 381.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine is sourced from PubChem (CID 3048377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).