4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide

C14H16N2O5S2 — CID 34207194

IUPAC4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)ccc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16N2O5S2/c1-16(23(19,20)11-6-4-3-5-7-11)13-9-8-12(22(15,17)18)10-14(13)21-2/h3-10H,1-2H3,(H2,15,17,18)
InChIKeyXYERMUWLRRWPNJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.17
Rot. Bonds5

About 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide

4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide (PubChem CID 34207194) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide
PubChem CID34207194
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC Name4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)ccc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16N2O5S2/c1-16(23(19,20)11-6-4-3-5-7-11)13-9-8-12(22(15,17)18)10-14(13)21-2/h3-10H,1-2H3,(H2,15,17,18)
InChIKeyXYERMUWLRRWPNJ-UHFFFAOYSA-N
XLogP1.17
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,4-dimethoxyphenyl)-N-methylbenzenesulfonamide
CID 99635932
4-methoxy-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
CID 7730636
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
4-amino-3-methoxy-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 81440430
CID 118692692
CID 118692692
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
N-(6-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557676
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
CID 82899200
3-methoxybenzenesulfonamide
CID 14763060
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide (CID 34207194) is 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide is COc1cc(S(N)(=O)=O)ccc1N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide?
The InChIKey is XYERMUWLRRWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-16(23(19,20)11-6-4-3-5-7-11)13-9-8-12(22(15,17)18)10-14(13)21-2/h3-10H,1-2H3,(H2,15,17,18).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide?
4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide has a molecular weight of 356.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 34207194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).