2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide

C14H15ClN2O3S — CID 61125908

IUPAC2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccccc2N)cc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-2-20-13-8-7-10(9-11(13)15)17-21(18,19)14-6-4-3-5-12(14)16/h3-9,17H,2,16H2,1H3
InChIKeyWXYURGCZWTXJSQ-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.12
Rot. Bonds5

About 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide

2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide (PubChem CID 61125908) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
PubChem CID61125908
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccccc2N)cc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-2-20-13-8-7-10(9-11(13)15)17-21(18,19)14-6-4-3-5-12(14)16/h3-9,17H,2,16H2,1H3
InChIKeyWXYURGCZWTXJSQ-UHFFFAOYSA-N
XLogP3.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
2-[2-chloro-4-[(2-methoxyphenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
CID 55603766
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849
2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
CID 60934471
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
2-bromo-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 52781998

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide (CID 61125908) is 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccccc2N)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is WXYURGCZWTXJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-2-20-13-8-7-10(9-11(13)15)17-21(18,19)14-6-4-3-5-12(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide?
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 61125908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).