N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide

C16H19N3O5S2 — CID 55904950

IUPACN-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N3O5S2/c1-2-18-16(20)13-5-3-12(4-6-13)11-19-26(23,24)15-9-7-14(8-10-15)25(17,21)22/h3-10,19H,2,11H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyKCQVKKQRLXCLKL-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.56
Rot. Bonds7

About N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide

N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide (PubChem CID 55904950) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
PubChem CID55904950
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC NameN-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N3O5S2/c1-2-18-16(20)13-5-3-12(4-6-13)11-19-26(23,24)15-9-7-14(8-10-15)25(17,21)22/h3-10,19H,2,11H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyKCQVKKQRLXCLKL-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 52708157
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
CID 55905207
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 55906367
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide (CID 55904950) is N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide is CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide?
The InChIKey is KCQVKKQRLXCLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-2-18-16(20)13-5-3-12(4-6-13)11-19-26(23,24)15-9-7-14(8-10-15)25(17,21)22/h3-10,19H,2,11H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide?
N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 55904950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).