2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

C12H18ClN3O3S — CID 79083271

IUPAC2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)c2ccc(Cl)cc2N)C1
InChIInChI=1S/C12H18ClN3O3S/c1-16-4-5-19-10(8-16)7-15-20(17,18)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8,14H2,1H3
InChIKeyRMUJYMSACCLWPC-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.53
Rot. Bonds4

About 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 79083271) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID79083271
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)c2ccc(Cl)cc2N)C1
InChIInChI=1S/C12H18ClN3O3S/c1-16-4-5-19-10(8-16)7-15-20(17,18)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8,14H2,1H3
InChIKeyRMUJYMSACCLWPC-UHFFFAOYSA-N
XLogP0.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.53
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

5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895
5-amino-2,3-difluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79080372
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035
4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 116528706
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79079568
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920
4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110709964
6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 79071689
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (CID 79083271) is 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is CN1CCOC(CNS(=O)(=O)c2ccc(Cl)cc2N)C1.
What is the InChIKey of 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is RMUJYMSACCLWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-16-4-5-19-10(8-16)7-15-20(17,18)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8,14H2,1H3.
What are the key properties of 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79083271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).