N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide

C9H8BrClN2O2S3 — CID 54987200

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCN(Cc1csc(Br)c1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H8BrClN2O2S3/c1-13(4-6-2-7(10)16-5-6)18(14,15)8-3-12-9(11)17-8/h2-3,5H,4H2,1H3
InChIKeyAYSOVFFPXILCQW-UHFFFAOYSA-N
MW387.73 g/mol
LogP3.44
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide

N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 54987200) has the molecular formula C9H8BrClN2O2S3 and a molecular weight of 387.73 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
PubChem CID54987200
Molecular FormulaC9H8BrClN2O2S3
Molecular Weight387.73 g/mol
Exact Mass385.86
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCN(Cc1csc(Br)c1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H8BrClN2O2S3/c1-13(4-6-2-7(10)16-5-6)18(14,15)8-3-12-9(11)17-8/h2-3,5H,4H2,1H3
InChIKeyAYSOVFFPXILCQW-UHFFFAOYSA-N
XLogP3.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.73
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide (CID 54987200) is N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide is CN(Cc1csc(Br)c1)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is AYSOVFFPXILCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O2S3/c1-13(4-6-2-7(10)16-5-6)18(14,15)8-3-12-9(11)17-8/h2-3,5H,4H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide?
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 387.73 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54987200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).