3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide

C16H18N2O5S2 — CID 7254292

IUPAC3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-12-2-6-14(7-3-12)24(20,21)11-10-16(19)18-13-4-8-15(9-5-13)25(17,22)23/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,22,23)
InChIKeyDJOXDWKPOJEKAV-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.44
Rot. Bonds6

About 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide

3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 7254292) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
PubChem CID7254292
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-12-2-6-14(7-3-12)24(20,21)11-10-16(19)18-13-4-8-15(9-5-13)25(17,22)23/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,22,23)
InChIKeyDJOXDWKPOJEKAV-UHFFFAOYSA-N
XLogP1.44
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Acedapsone
CID 6477
Monoacetyldapsone
CID 11257
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
N-(4-sulfamoylphenyl)-3-({2-[(4-sulfamoylphenyl)carbamoyl]ethyl}disulfanyl)propanamide
CID 16082752
2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
CID 134821990
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide (CID 7254292) is 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is DJOXDWKPOJEKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-12-2-6-14(7-3-12)24(20,21)11-10-16(19)18-13-4-8-15(9-5-13)25(17,22)23/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,22,23).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 7254292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).