4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide

C16H16ClN3O4S — CID 26636174

IUPAC4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O4S/c17-12-2-1-3-14(10-12)25(23,24)19-9-8-15(21)20-13-6-4-11(5-7-13)16(18)22/h1-7,10,19H,8-9H2,(H2,18,22)(H,20,21)
InChIKeyHXDWFZUGJDHCHK-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.75
Rot. Bonds7

About 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide

4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide (PubChem CID 26636174) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
PubChem CID26636174
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O4S/c17-12-2-1-3-14(10-12)25(23,24)19-9-8-15(21)20-13-6-4-11(5-7-13)16(18)22/h1-7,10,19H,8-9H2,(H2,18,22)(H,20,21)
InChIKeyHXDWFZUGJDHCHK-UHFFFAOYSA-N
XLogP1.75
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 56519883
ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate
CID 113000819
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557578
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441797

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide (CID 26636174) is 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide?
The InChIKey is HXDWFZUGJDHCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c17-12-2-1-3-14(10-12)25(23,24)19-9-8-15(21)20-13-6-4-11(5-7-13)16(18)22/h1-7,10,19H,8-9H2,(H2,18,22)(H,20,21).
What are the key properties of 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide?
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide has a molecular weight of 381.84 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 26636174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).