N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C16H15BrN2O2S3 — CID 50846990

IUPACN-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)NCc3ccc(Br)cc3)s2)n1
InChIInChI=1S/C16H15BrN2O2S3/c1-2-13-10-22-16(19-13)14-7-8-15(23-14)24(20,21)18-9-11-3-5-12(17)6-4-11/h3-8,10,18H,2,9H2,1H3
InChIKeyIQBZXSSLEFEPSL-UHFFFAOYSA-N
MW443.41 g/mol
LogP4.68
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 50846990) has the molecular formula C16H15BrN2O2S3 and a molecular weight of 443.41 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID50846990
Molecular FormulaC16H15BrN2O2S3
Molecular Weight443.41 g/mol
Exact Mass441.95
IUPAC NameN-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)NCc3ccc(Br)cc3)s2)n1
InChIInChI=1S/C16H15BrN2O2S3/c1-2-13-10-22-16(19-13)14-7-8-15(23-14)24(20,21)18-9-11-3-5-12(17)6-4-11/h3-8,10,18H,2,9H2,1H3
InChIKeyIQBZXSSLEFEPSL-UHFFFAOYSA-N
XLogP4.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50847156
N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846699
N-(3,4-dimethylphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846922
5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 23603449
5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 2738763
4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110678457
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 73440737
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 61281494
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947504
5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
CID 92686097

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 50846990) is N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CCc1csc(-c2ccc(S(=O)(=O)NCc3ccc(Br)cc3)s2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is IQBZXSSLEFEPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S3/c1-2-13-10-22-16(19-13)14-7-8-15(23-14)24(20,21)18-9-11-3-5-12(17)6-4-11/h3-8,10,18H,2,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 443.41 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50846990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).