3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide

C15H13BrClNO3S — CID 4109101

IUPAC3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H13BrClNO3S/c16-11-5-7-12(8-6-11)22(20,21)10-9-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyVUAATPWZCKEDEM-UHFFFAOYSA-N
MW402.70 g/mol
LogP3.90
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide (PubChem CID 4109101) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
PubChem CID4109101
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H13BrClNO3S/c16-11-5-7-12(8-6-11)22(20,21)10-9-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyVUAATPWZCKEDEM-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

3-(4-Bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 3456802
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)sulfonyl]propanamide
CID 4293410
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfinyl]acetamide
CID 4358481
N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 44569553
N-(4-chlorophenyl)-2-(phenylsulfonyl)acetamide
CID 892271
N-(2-bromophenyl)-3-[(4-chlorophenyl)sulfonyl]propanamide
CID 3420393
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429
2-[(4-bromophenyl)sulfanyl]-N-(3-chlorophenyl)acetamide
CID 985719
3-(4-Bromophenyl)sulfonyl-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 3347771
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfonyl]acetamide
CID 3365049
3-[(4-chlorophenyl)sulfonyl]-N-(4-fluorophenyl)propanamide
CID 3550070
3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide
CID 4639144

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide (CID 4109101) is 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Cl.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide?
The InChIKey is VUAATPWZCKEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c16-11-5-7-12(8-6-11)22(20,21)10-9-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide 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 3-(4-bromophenyl)sulfonyl-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 4109101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).