2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide

C9H13ClN2O3S — CID 96680450

IUPAC2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCN)c(Cl)c1
InChIInChI=1S/C9H13ClN2O3S/c1-15-7-2-3-9(8(10)6-7)12-16(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyPPTPJSMWDMSBPH-UHFFFAOYSA-N
MW264.73 g/mol
LogP1.05
Rot. Bonds5

About 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide

2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide (PubChem CID 96680450) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide
PubChem CID96680450
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCN)c(Cl)c1
InChIInChI=1S/C9H13ClN2O3S/c1-15-7-2-3-9(8(10)6-7)12-16(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyPPTPJSMWDMSBPH-UHFFFAOYSA-N
XLogP1.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777958
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
(2-chloro-4-methoxyphenyl)hydrazine;hydrochloride
CID 132585199
2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115131658
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
CID 63290463
N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
CID 86857982

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide (CID 96680450) is 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide is COc1ccc(NS(=O)(=O)CCN)c(Cl)c1.
What is the InChIKey of 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide?
The InChIKey is PPTPJSMWDMSBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-15-7-2-3-9(8(10)6-7)12-16(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide?
2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide has a molecular weight of 264.73 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 96680450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).