5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide

C11H9Cl2N3O2S — CID 103093986

IUPAC5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)Nc2ncccc2Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c12-8-4-3-7(14)6-10(8)19(17,18)16-11-9(13)2-1-5-15-11/h1-6H,14H2,(H,15,16)
InChIKeySYXDNBBHKPLDIK-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.77
Rot. Bonds3

About 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide

5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide (PubChem CID 103093986) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
PubChem CID103093986
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)Nc2ncccc2Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c12-8-4-3-7(14)6-10(8)19(17,18)16-11-9(13)2-1-5-15-11/h1-6H,14H2,(H,15,16)
InChIKeySYXDNBBHKPLDIK-UHFFFAOYSA-N
XLogP2.77
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.77
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

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)-1H-indole-3-sulfonamide
CID 103093895
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 103093961
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652535
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide (CID 103093986) is 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)Nc2ncccc2Cl)c1.
What is the InChIKey of 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide?
The InChIKey is SYXDNBBHKPLDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-8-4-3-7(14)6-10(8)19(17,18)16-11-9(13)2-1-5-15-11/h1-6H,14H2,(H,15,16).
What are the key properties of 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide?
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide has a molecular weight of 318.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103093986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).