3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H16BrNO3S2 — CID 60656239

IUPAC3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H16BrNO3S2/c1-3-16(10-11-5-4-8-20-11)21(17,18)12-6-7-14(19-2)13(15)9-12/h4-9H,3,10H2,1-2H3
InChIKeyRJEAKVPOORFYKD-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.73
Rot. Bonds6

About 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 60656239) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID60656239
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H16BrNO3S2/c1-3-16(10-11-5-4-8-20-11)21(17,18)12-6-7-14(19-2)13(15)9-12/h4-9H,3,10H2,1-2H3
InChIKeyRJEAKVPOORFYKD-UHFFFAOYSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-2-methoxy-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39633177
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
5-(diethylsulfamoyl)-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 19257817
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 60656239) is 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is RJEAKVPOORFYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-3-16(10-11-5-4-8-20-11)21(17,18)12-6-7-14(19-2)13(15)9-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60656239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).