N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

C13H21ClN2O3S — CID 103293007

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOc1cccc(Cl)c1CNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C13H21ClN2O3S/c1-10(2)15-7-8-20(17,18)16-9-11-12(14)5-4-6-13(11)19-3/h4-6,10,15-16H,7-9H2,1-3H3
InChIKeyWUAAMGZZSGMTMK-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.77
Rot. Bonds8

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 103293007) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID103293007
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOc1cccc(Cl)c1CNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C13H21ClN2O3S/c1-10(2)15-7-8-20(17,18)16-9-11-12(14)5-4-6-13(11)19-3/h4-6,10,15-16H,7-9H2,1-3H3
InChIKeyWUAAMGZZSGMTMK-UHFFFAOYSA-N
XLogP1.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide
CID 103292180
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
CID 64673696
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973798
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722417

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 103293007) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is COc1cccc(Cl)c1CNS(=O)(=O)CCNC(C)C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is WUAAMGZZSGMTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/c1-10(2)15-7-8-20(17,18)16-9-11-12(14)5-4-6-13(11)19-3/h4-6,10,15-16H,7-9H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 320.84 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 103293007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).