N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide

C13H18ClNO4S — CID 95339490

IUPACN-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-18-13-6-5-10(8-12(13)14)15-20(16,17)9-11-4-2-3-7-19-11/h5-6,8,11,15H,2-4,7,9H2,1H3/t11-/m1/s1
InChIKeyDKDKGEYXNABLGN-LLVKDONJSA-N
MW319.81 g/mol
LogP2.66
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide

N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide (PubChem CID 95339490) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
PubChem CID95339490
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-18-13-6-5-10(8-12(13)14)15-20(16,17)9-11-4-2-3-7-19-11/h5-6,8,11,15H,2-4,7,9H2,1H3/t11-/m1/s1
InChIKeyDKDKGEYXNABLGN-LLVKDONJSA-N
XLogP2.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]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-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
N-[3-(chloromethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65033474
2-bromo-5-(oxan-2-ylmethylsulfonylamino)benzoic acid
CID 136516784
methyl 3-methoxy-2-(oxan-2-ylmethylsulfonylamino)benzoate
CID 119034438
1-(3-chloro-4-methoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 19677559
1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide
CID 154838414
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 99931540
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide (CID 95339490) is N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide is COc1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide?
The InChIKey is DKDKGEYXNABLGN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-18-13-6-5-10(8-12(13)14)15-20(16,17)9-11-4-2-3-7-19-11/h5-6,8,11,15H,2-4,7,9H2,1H3/t11-/m1/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide?
N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide is sourced from PubChem (CID 95339490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).