2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide

C13H14ClN3O2S2 — CID 103093992

IUPAC2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide
SMILESNc1cccc(SCCS(=O)(=O)Nc2ncccc2Cl)c1
InChIInChI=1S/C13H14ClN3O2S2/c14-12-5-2-6-16-13(12)17-21(18,19)8-7-20-11-4-1-3-10(15)9-11/h1-6,9H,7-8,15H2,(H,16,17)
InChIKeyWSDMAVPEOUIORD-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.85
Rot. Bonds6

About 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide

2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide (PubChem CID 103093992) has the molecular formula C13H14ClN3O2S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide
PubChem CID103093992
Molecular FormulaC13H14ClN3O2S2
Molecular Weight343.86 g/mol
Exact Mass343.02
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide
SMILESNc1cccc(SCCS(=O)(=O)Nc2ncccc2Cl)c1
InChIInChI=1S/C13H14ClN3O2S2/c14-12-5-2-6-16-13(12)17-21(18,19)8-7-20-11-4-1-3-10(15)9-11/h1-6,9H,7-8,15H2,(H,16,17)
InChIKeyWSDMAVPEOUIORD-UHFFFAOYSA-N
XLogP2.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide 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-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
2-(4-acetamidophenyl)sulfanyl-N-(5-chloropyridin-2-yl)acetamide
CID 2100279
2-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)acetamide
CID 2985129
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
N-(5-chloropyridin-2-yl)thiophene-2-sulfonamide
CID 704400
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
4-chloro-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 898366
2-(2,6-Dichloroanilino)-3-pyridinesulfonamide
CID 901910
2-(3-Chloroanilino)-3-pyridinesulfonamide
CID 902008
3-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)propanamide
CID 3163448

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide (CID 103093992) is 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide is Nc1cccc(SCCS(=O)(=O)Nc2ncccc2Cl)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide?
The InChIKey is WSDMAVPEOUIORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S2/c14-12-5-2-6-16-13(12)17-21(18,19)8-7-20-11-4-1-3-10(15)9-11/h1-6,9H,7-8,15H2,(H,16,17).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide?
2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide has a molecular weight of 343.86 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(3-chloro-2-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 103093992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).