4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide

C18H16ClN3O3S — CID 66714412

IUPAC4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cncnc1C
InChIInChI=1S/C18H16ClN3O3S/c1-12-17(10-20-11-21-12)16-8-5-14(9-18(16)25-2)22-26(23,24)15-6-3-13(19)4-7-15/h3-11,22H,1-2H3
InChIKeyOJJWXFGMXRKDSM-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.91
Rot. Bonds5

About 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide

4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide (PubChem CID 66714412) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
PubChem CID66714412
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cncnc1C
InChIInChI=1S/C18H16ClN3O3S/c1-12-17(10-20-11-21-12)16-8-5-14(9-18(16)25-2)22-26(23,24)15-6-3-13(19)4-7-15/h3-11,22H,1-2H3
InChIKeyOJJWXFGMXRKDSM-UHFFFAOYSA-N
XLogP3.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide (CID 66714412) is 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cncnc1C.
What is the InChIKey of 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The InChIKey is OJJWXFGMXRKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-12-17(10-20-11-21-12)16-8-5-14(9-18(16)25-2)22-26(23,24)15-6-3-13(19)4-7-15/h3-11,22H,1-2H3.
What are the key properties of 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide has a molecular weight of 389.86 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66714412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).