N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide

C10H10BrN3O2S2 — CID 86674186

IUPACN-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(Br)s2)c1
InChIInChI=1S/C10H10BrN3O2S2/c1-18(15,16)14-8-4-2-3-7(5-8)13-10-12-6-9(11)17-10/h2-6,14H,1H3,(H,12,13)
InChIKeyWDBMWXFJFWBAGT-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.02
Rot. Bonds4

About N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide

N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide (PubChem CID 86674186) has the molecular formula C10H10BrN3O2S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
PubChem CID86674186
Molecular FormulaC10H10BrN3O2S2
Molecular Weight348.25 g/mol
Exact Mass346.94
IUPAC NameN-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(Br)s2)c1
InChIInChI=1S/C10H10BrN3O2S2/c1-18(15,16)14-8-4-2-3-7(5-8)13-10-12-6-9(11)17-10/h2-6,14H,1H3,(H,12,13)
InChIKeyWDBMWXFJFWBAGT-UHFFFAOYSA-N
XLogP3.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide (CID 86674186) is N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(Nc2ncc(Br)s2)c1.
What is the InChIKey of N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide?
The InChIKey is WDBMWXFJFWBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S2/c1-18(15,16)14-8-4-2-3-7(5-8)13-10-12-6-9(11)17-10/h2-6,14H,1H3,(H,12,13).
What are the key properties of N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide?
N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide has a molecular weight of 348.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 86674186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).