4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide

C15H16ClNO3S — CID 87026734

IUPAC4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClNO3S/c1-11-8-13(16)6-7-15(11)21(18,19)17-14-5-3-4-12(9-14)10-20-2/h3-9,17H,10H2,1-2H3
InChIKeyPFCPRWSSGHRGRE-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.60
Rot. Bonds5

About 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide

4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 87026734) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
PubChem CID87026734
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClNO3S/c1-11-8-13(16)6-7-15(11)21(18,19)17-14-5-3-4-12(9-14)10-20-2/h3-9,17H,10H2,1-2H3
InChIKeyPFCPRWSSGHRGRE-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide
CID 155154126
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 106611620
5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
CID 106002777
2-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-sulfonamide
CID 62158681
N-[3-(methoxymethyl)phenyl]-4-methylsulfanylbenzenesulfonamide
CID 95050814
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889
4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 60520999
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 42990204
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
CID 56963265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide (CID 87026734) is 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide is COCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C)c1.
What is the InChIKey of 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is PFCPRWSSGHRGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-8-13(16)6-7-15(11)21(18,19)17-14-5-3-4-12(9-14)10-20-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide?
4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 87026734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).