N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide

C13H13ClIN3O2S — CID 107605993

IUPACN-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H13ClIN3O2S/c1-2-17-12-5-6-16-8-13(12)21(19,20)18-11-4-3-9(15)7-10(11)14/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyJCHBTDBYPPMPAQ-UHFFFAOYSA-N
MW437.69 g/mol
LogP3.57
Rot. Bonds5

About N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide

N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide (PubChem CID 107605993) has the molecular formula C13H13ClIN3O2S and a molecular weight of 437.69 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide
PubChem CID107605993
Molecular FormulaC13H13ClIN3O2S
Molecular Weight437.69 g/mol
Exact Mass436.95
IUPAC NameN-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H13ClIN3O2S/c1-2-17-12-5-6-16-8-13(12)21(19,20)18-11-4-3-9(15)7-10(11)14/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyJCHBTDBYPPMPAQ-UHFFFAOYSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.69
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107606006
N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107810161
4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide
CID 79768669
N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106006932
5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006581
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006776
4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452
N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 107606051
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
CID 107605493
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
CID 106006619

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide (CID 107605993) is N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide is CCNc1ccncc1S(=O)(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is JCHBTDBYPPMPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3O2S/c1-2-17-12-5-6-16-8-13(12)21(19,20)18-11-4-3-9(15)7-10(11)14/h3-8,18H,2H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide?
N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 437.69 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107605993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).