1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide

C18H21ClN2O3S — CID 110637339

IUPAC1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
SMILESCC1CN(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)CCO1
InChIInChI=1S/C18H21ClN2O3S/c1-14-12-21(10-11-24-14)17-8-6-16(7-9-17)20-25(22,23)13-15-4-2-3-5-18(15)19/h2-9,14,20H,10-13H2,1H3
InChIKeyAWDDAOFACBWHEJ-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.51
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide

1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide (PubChem CID 110637339) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
PubChem CID110637339
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
SMILESCC1CN(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)CCO1
InChIInChI=1S/C18H21ClN2O3S/c1-14-12-21(10-11-24-14)17-8-6-16(7-9-17)20-25(22,23)13-15-4-2-3-5-18(15)19/h2-9,14,20H,10-13H2,1H3
InChIKeyAWDDAOFACBWHEJ-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182
2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637279
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890659
1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
1-(2-chlorophenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413831
1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512787
N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
CID 3991135
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-(trifluoromethylsulfonyl)aniline
CID 167955272

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide (CID 110637339) is 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide is CC1CN(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)CCO1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide?
The InChIKey is AWDDAOFACBWHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14-12-21(10-11-24-14)17-8-6-16(7-9-17)20-25(22,23)13-15-4-2-3-5-18(15)19/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 110637339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).