5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide

C15H16ClNO4S — CID 100562486

IUPAC5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C15H16ClNO4S/c1-20-10-11-4-3-5-13(8-11)17-22(18,19)15-9-12(16)6-7-14(15)21-2/h3-9,17H,10H2,1-2H3
InChIKeySRTYBRSSXWQPRR-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.30
Rot. Bonds6

About 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide

5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide (PubChem CID 100562486) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
PubChem CID100562486
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C15H16ClNO4S/c1-20-10-11-4-3-5-13(8-11)17-22(18,19)15-9-12(16)6-7-14(15)21-2/h3-9,17H,10H2,1-2H3
InChIKeySRTYBRSSXWQPRR-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 87026734
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide
CID 155154126
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
CID 70601990
CID 70601990
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
3-bromo-4-chloro-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 106611620
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 11977548

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide (CID 100562486) is 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide is COCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide?
The InChIKey is SRTYBRSSXWQPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-20-10-11-4-3-5-13(8-11)17-22(18,19)15-9-12(16)6-7-14(15)21-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 100562486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).