N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide

C15H13BrClNO3S — CID 3420393

IUPACN-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClNO3S/c16-13-3-1-2-4-14(13)18-15(19)9-10-22(20,21)12-7-5-11(17)6-8-12/h1-8H,9-10H2,(H,18,19)
InChIKeyAPPZIDIVGATXMN-UHFFFAOYSA-N
MW402.70 g/mol
LogP3.90
Rot. Bonds5

About N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide

N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 3420393) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide
PubChem CID3420393
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC NameN-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClNO3S/c16-13-3-1-2-4-14(13)18-15(19)9-10-22(20,21)12-7-5-11(17)6-8-12/h1-8H,9-10H2,(H,18,19)
InChIKeyAPPZIDIVGATXMN-UHFFFAOYSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
3-[(4-bromophenyl)sulfonyl]-N-(2-chlorophenyl)propanamide
CID 4109101
4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
CID 4237823
3-(4-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4425333
N-(2-bromo-4-methylphenyl)-1-[(4-chlorophenyl)sulfonyl]cyclopropanecarboxamide
CID 22429129
N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 44569553
N-(4-chlorophenyl)-2-(phenylsulfonyl)acetamide
CID 892271
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
CID 302745
2-[(4-bromophenyl)sulfanyl]-N-(3-chlorophenyl)acetamide
CID 985719
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfonyl]acetamide
CID 3365049

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide (CID 3420393) is N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is APPZIDIVGATXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c16-13-3-1-2-4-14(13)18-15(19)9-10-22(20,21)12-7-5-11(17)6-8-12/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 402.70 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 3420393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).