2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide

C18H16ClN3O3S — CID 113034036

IUPAC2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C18H16ClN3O3S/c1-25-16-8-4-3-7-15(16)21-13-10-11-18(20-12-13)22-26(23,24)17-9-5-2-6-14(17)19/h2-12,21H,1H3,(H,20,22)
InChIKeyLCQXJUMBVTTZSP-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.29
Rot. Bonds6

About 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide

2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113034036) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
PubChem CID113034036
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C18H16ClN3O3S/c1-25-16-8-4-3-7-15(16)21-13-10-11-18(20-12-13)22-26(23,24)17-9-5-2-6-14(17)19/h2-12,21H,1H3,(H,20,22)
InChIKeyLCQXJUMBVTTZSP-UHFFFAOYSA-N
XLogP4.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
CID 113025271
2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 113024346
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
2-chloro-N-[5-(cycloheptylamino)-2-pyridinyl]benzenesulfonamide
CID 113030186
5-(dimethylsulfamoylamino)-2-(2-methoxyanilino)pyridine
CID 113019343
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
CID 113034304
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide (CID 113034036) is 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide is COc1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2Cl)nc1.
What is the InChIKey of 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is LCQXJUMBVTTZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-25-16-8-4-3-7-15(16)21-13-10-11-18(20-12-13)22-26(23,24)17-9-5-2-6-14(17)19/h2-12,21H,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide?
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 389.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).