N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C11H13BrN2O3S2 — CID 47318835

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H13BrN2O3S2/c1-7-11(8(2)17-13-7)19(15,16)14(3)5-10-4-9(12)6-18-10/h4,6H,5H2,1-3H3
InChIKeyBGDYXVPRLMMKNC-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.94
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 47318835) has the molecular formula C11H13BrN2O3S2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID47318835
Molecular FormulaC11H13BrN2O3S2
Molecular Weight365.27 g/mol
Exact Mass363.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C11H13BrN2O3S2/c1-7-11(8(2)17-13-7)19(15,16)14(3)5-10-4-9(12)6-18-10/h4,6H,5H2,1-3H3
InChIKeyBGDYXVPRLMMKNC-UHFFFAOYSA-N
XLogP2.94
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 47318835) is N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BGDYXVPRLMMKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S2/c1-7-11(8(2)17-13-7)19(15,16)14(3)5-10-4-9(12)6-18-10/h4,6H,5H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 47318835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).