3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide

C16H19N3O5S2 — CID 18268034

IUPAC3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C16H19N3O5S2/c1-12-7-8-13(11-15(12)25(17,21)22)19-16(20)9-10-18-26(23,24)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)(H2,17,21,22)
InChIKeyVRJKYSAYWYUULG-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.95
Rot. Bonds7

About 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide

3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 18268034) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
PubChem CID18268034
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC Name3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C16H19N3O5S2/c1-12-7-8-13(11-15(12)25(17,21)22)19-16(20)9-10-18-26(23,24)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)(H2,17,21,22)
InChIKeyVRJKYSAYWYUULG-UHFFFAOYSA-N
XLogP0.95
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637727
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55365933
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
3-(benzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17225952
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide (CID 18268034) is 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is VRJKYSAYWYUULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-12-7-8-13(11-15(12)25(17,21)22)19-16(20)9-10-18-26(23,24)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)(H2,17,21,22).
What are the key properties of 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide?
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 397.48 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 18268034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).