2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide

C17H13BrN2O3S2 — CID 24821752

IUPAC2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1sc(S(=O)(=O)c2ccccc2)nc1Br
InChIInChI=1S/C17H13BrN2O3S2/c18-15-14(16(21)19-11-12-7-3-1-4-8-12)24-17(20-15)25(22,23)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,21)
InChIKeyADYNBBHCVONSPY-UHFFFAOYSA-N
MW437.34 g/mol
LogP3.67
Rot. Bonds5

About 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide

2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide (PubChem CID 24821752) has the molecular formula C17H13BrN2O3S2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide
PubChem CID24821752
Molecular FormulaC17H13BrN2O3S2
Molecular Weight437.34 g/mol
Exact Mass435.96
IUPAC Name2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1sc(S(=O)(=O)c2ccccc2)nc1Br
InChIInChI=1S/C17H13BrN2O3S2/c18-15-14(16(21)19-11-12-7-3-1-4-8-12)24-17(20-15)25(22,23)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,21)
InChIKeyADYNBBHCVONSPY-UHFFFAOYSA-N
XLogP3.67
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide
CID 24822016
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-benzyl-4-bromo-1,3-thiazole-2-carboxamide
CID 90935843
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
1-(benzenesulfonyl)-N-benzyl-9,10-dioxoanthracene-2-carboxamide
CID 5294664

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide (CID 24821752) is 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide is O=C(NCc1ccccc1)c1sc(S(=O)(=O)c2ccccc2)nc1Br.
What is the InChIKey of 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide?
The InChIKey is ADYNBBHCVONSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3S2/c18-15-14(16(21)19-11-12-7-3-1-4-8-12)24-17(20-15)25(22,23)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,21).
What are the key properties of 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide?
2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide has a molecular weight of 437.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24821752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).