5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide

C14H15BrClNO2S2 — CID 79999013

IUPAC5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide
SMILESCCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H15BrClNO2S2/c1-3-17(9-11-5-4-6-12(16)8-11)21(18,19)13-7-10(2)14(15)20-13/h4-8H,3,9H2,1-2H3
InChIKeyIUTKOKAMQMILQJ-UHFFFAOYSA-N
MW408.77 g/mol
LogP4.68
Rot. Bonds5

About 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide

5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide (PubChem CID 79999013) has the molecular formula C14H15BrClNO2S2 and a molecular weight of 408.77 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide
PubChem CID79999013
Molecular FormulaC14H15BrClNO2S2
Molecular Weight408.77 g/mol
Exact Mass406.94
IUPAC Name5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide
SMILESCCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H15BrClNO2S2/c1-3-17(9-11-5-4-6-12(16)8-11)21(18,19)13-7-10(2)14(15)20-13/h4-8H,3,9H2,1-2H3
InChIKeyIUTKOKAMQMILQJ-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984523
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
CID 115755413
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 65428769
6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 61045031
N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide
CID 43459044
N-[(3-aminophenyl)methyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413803
N-[(3-chlorophenyl)methyl]-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260167
N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80576976
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
5-bromo-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 79932170
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide (CID 79999013) is 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide is CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide?
The InChIKey is IUTKOKAMQMILQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2S2/c1-3-17(9-11-5-4-6-12(16)8-11)21(18,19)13-7-10(2)14(15)20-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide?
5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide has a molecular weight of 408.77 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79999013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).