N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide

C17H14BrN3O3S2 — CID 126508506

IUPACN-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cs1
InChIInChI=1S/C17H14BrN3O3S2/c1-11(22)19-17-20-16(10-25-17)12-3-2-4-14(9-12)21-26(23,24)15-7-5-13(18)6-8-15/h2-10,21H,1H3,(H,19,20,22)
InChIKeyBGXLBUTZRBLCRQ-UHFFFAOYSA-N
MW452.36 g/mol
LogP4.33
Rot. Bonds5

About N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide

N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 126508506) has the molecular formula C17H14BrN3O3S2 and a molecular weight of 452.36 g/mol. Its IUPAC name is N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID126508506
Molecular FormulaC17H14BrN3O3S2
Molecular Weight452.36 g/mol
Exact Mass450.97
IUPAC NameN-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cs1
InChIInChI=1S/C17H14BrN3O3S2/c1-11(22)19-17-20-16(10-25-17)12-3-2-4-14(9-12)21-26(23,24)15-7-5-13(18)6-8-15/h2-10,21H,1H3,(H,19,20,22)
InChIKeyBGXLBUTZRBLCRQ-UHFFFAOYSA-N
XLogP4.33
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide (CID 126508506) is N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cs1.
What is the InChIKey of N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BGXLBUTZRBLCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3S2/c1-11(22)19-17-20-16(10-25-17)12-3-2-4-14(9-12)21-26(23,24)15-7-5-13(18)6-8-15/h2-10,21H,1H3,(H,19,20,22).
What are the key properties of N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 452.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 126508506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).