3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide

C18H15BrN2O3S2 — CID 41235081

IUPAC3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H15BrN2O3S2/c19-14-8-6-13(7-9-14)16-12-25-18(20-16)21-17(22)10-11-26(23,24)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21,22)
InChIKeyCTDJYJFBACXUNN-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.38
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide

3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 41235081) has the molecular formula C18H15BrN2O3S2 and a molecular weight of 451.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID41235081
Molecular FormulaC18H15BrN2O3S2
Molecular Weight451.37 g/mol
Exact Mass449.97
IUPAC Name3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H15BrN2O3S2/c19-14-8-6-13(7-9-14)16-12-25-18(20-16)21-17(22)10-11-26(23,24)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21,22)
InChIKeyCTDJYJFBACXUNN-UHFFFAOYSA-N
XLogP4.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
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4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
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2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
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3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide (CID 41235081) is 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is CTDJYJFBACXUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S2/c19-14-8-6-13(7-9-14)16-12-25-18(20-16)21-17(22)10-11-26(23,24)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 451.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 41235081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).