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'}

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(4-chloro-3-pyridinyl)ethanesulfonamide
CID 83164170
3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
CID 103094092
N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide
CID 103094659
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
1-[2-(3-aminophenyl)sulfanylethylsulfonyl]-3-ethylurea
CID 116645937
2-(3-aminophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106180833
2-(3-aminophenyl)sulfanyl-N-(4-methoxybutan-2-yl)ethanesulfonamide
CID 64600283
N-(3-chloro-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106086632
2-(3-aminophenyl)sulfanyl-N-[(3-methylcyclopentyl)methyl]ethanesulfonamide
CID 107411064
4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
CID 103093927
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919

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).