N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide

C13H19ClN2O3S — CID 106059597

IUPACN-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)C(C)CNC1CC1
InChIInChI=1S/C13H19ClN2O3S/c1-9(8-15-11-4-5-11)20(17,18)16-12-7-10(14)3-6-13(12)19-2/h3,6-7,9,11,15-16H,4-5,8H2,1-2H3
InChIKeyUOYLVJIDNVJJIR-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.23
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide

N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide (PubChem CID 106059597) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
PubChem CID106059597
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)C(C)CNC1CC1
InChIInChI=1S/C13H19ClN2O3S/c1-9(8-15-11-4-5-11)20(17,18)16-12-7-10(14)3-6-13(12)19-2/h3,6-7,9,11,15-16H,4-5,8H2,1-2H3
InChIKeyUOYLVJIDNVJJIR-UHFFFAOYSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106060415
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 79446366
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106058883
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide (CID 106059597) is N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)C(C)CNC1CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The InChIKey is UOYLVJIDNVJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9(8-15-11-4-5-11)20(17,18)16-12-7-10(14)3-6-13(12)19-2/h3,6-7,9,11,15-16H,4-5,8H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide is sourced from PubChem (CID 106059597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).