N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide

C18H16ClN3O3S — CID 113033802

IUPACN-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1Cl
InChIInChI=1S/C18H16ClN3O3S/c1-25-17-9-7-13(11-16(17)19)21-14-8-10-18(20-12-14)22-26(23,24)15-5-3-2-4-6-15/h2-12,21H,1H3,(H,20,22)
InChIKeyPYSKGPDLNFRQSA-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.29
Rot. Bonds6

About N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide

N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113033802) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
PubChem CID113033802
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1Cl
InChIInChI=1S/C18H16ClN3O3S/c1-25-17-9-7-13(11-16(17)19)21-14-8-10-18(20-12-14)22-26(23,24)15-5-3-2-4-6-15/h2-12,21H,1H3,(H,20,22)
InChIKeyPYSKGPDLNFRQSA-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

Analyze N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide 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-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide
CID 113036847
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113033766
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
CID 113035173
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033749
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide (CID 113033802) is N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide is COc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1Cl.
What is the InChIKey of N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is PYSKGPDLNFRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-25-17-9-7-13(11-16(17)19)21-14-8-10-18(20-12-14)22-26(23,24)15-5-3-2-4-6-15/h2-12,21H,1H3,(H,20,22).
What are the key properties of N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide?
N-[5-(3-chloro-4-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 N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113033802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).