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

C15H15ClN2O5S2 — CID 4237823

IUPAC3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O5S2/c16-11-4-6-13(7-5-11)24(20,21)9-8-15(19)18-12-2-1-3-14(10-12)25(17,22)23/h1-7,10H,8-9H2,(H,18,19)(H2,17,22,23)
InChIKeyUHTCOFDJEYWVHP-UHFFFAOYSA-N
MW402.88 g/mol
LogP1.79
Rot. Bonds6

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

3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide (PubChem CID 4237823) has the molecular formula C15H15ClN2O5S2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
PubChem CID4237823
Molecular FormulaC15H15ClN2O5S2
Molecular Weight402.88 g/mol
Exact Mass402.01
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O5S2/c16-11-4-6-13(7-5-11)24(20,21)9-8-15(19)18-12-2-1-3-14(10-12)25(17,22)23/h1-7,10H,8-9H2,(H,18,19)(H2,17,22,23)
InChIKeyUHTCOFDJEYWVHP-UHFFFAOYSA-N
XLogP1.79
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Chloro-5-methylsulfonylphenyl)-3-phenylurea
CID 2404411
4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
N-(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)acetamide
CID 873668
N-(2-chlorophenyl)-2-[(3,4-dichlorophenyl)sulfonyl]acetamide
CID 1488183
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 2566083
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide
CID 3278449
3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4213399
3-(phenylsulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfinyl]acetamide
CID 4358481
3-(4-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4425333
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
N-[2-chloro-5-[(3-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 5075918

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide (CID 4237823) is 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide is NS(=O)(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is UHTCOFDJEYWVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S2/c16-11-4-6-13(7-5-11)24(20,21)9-8-15(19)18-12-2-1-3-14(10-12)25(17,22)23/h1-7,10H,8-9H2,(H,18,19)(H2,17,22,23).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 402.88 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 4237823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).