N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide

C15H16ClN3O5S3 — CID 134098190

IUPACN-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide
SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CCSc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClN3O5S3/c16-11-8-12(14(27(18,23)24)9-13(11)26(17,21)22)19-15(20)6-7-25-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)(H2,17,21,22)(H2,18,23,24)
InChIKeyUOCQJBJHOUGWOR-UHFFFAOYSA-N
MW449.96 g/mol
LogP1.76
Rot. Bonds7

About N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide

N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide (PubChem CID 134098190) has the molecular formula C15H16ClN3O5S3 and a molecular weight of 449.96 g/mol. Its IUPAC name is N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide
PubChem CID134098190
Molecular FormulaC15H16ClN3O5S3
Molecular Weight449.96 g/mol
Exact Mass448.99
IUPAC NameN-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide
SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CCSc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClN3O5S3/c16-11-8-12(14(27(18,23)24)9-13(11)26(17,21)22)19-15(20)6-7-25-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)(H2,17,21,22)(H2,18,23,24)
InChIKeyUOCQJBJHOUGWOR-UHFFFAOYSA-N
XLogP1.76
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide
CID 101117427
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977
2-phenylsulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 78992086
N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide
CID 168520102
N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide
CID 47249027
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7920186
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 23804473

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide (CID 134098190) is N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide is NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CCSc2ccccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide?
The InChIKey is UOCQJBJHOUGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O5S3/c16-11-8-12(14(27(18,23)24)9-13(11)26(17,21)22)19-15(20)6-7-25-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)(H2,17,21,22)(H2,18,23,24).
What are the key properties of N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide?
N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide has a molecular weight of 449.96 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 134098190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).