5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide

C14H16BrNO3S2 — CID 60652296

IUPAC5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Br)s1)c1ccc(OC)cc1
InChIInChI=1S/C14H16BrNO3S2/c1-3-12(10-4-6-11(19-2)7-5-10)16-21(17,18)14-9-8-13(15)20-14/h4-9,12,16H,3H2,1-2H3
InChIKeyBOUDMMVKJAYQAZ-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.95
Rot. Bonds6

About 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide

5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide (PubChem CID 60652296) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
PubChem CID60652296
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Br)s1)c1ccc(OC)cc1
InChIInChI=1S/C14H16BrNO3S2/c1-3-12(10-4-6-11(19-2)7-5-10)16-21(17,18)14-9-8-13(15)20-14/h4-9,12,16H,3H2,1-2H3
InChIKeyBOUDMMVKJAYQAZ-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide
CID 99959421
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146121429
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
CID 133161339
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 92656239
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-nitrobenzenesulfonamide
CID 28635365

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide (CID 60652296) is 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1ccc(Br)s1)c1ccc(OC)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide?
The InChIKey is BOUDMMVKJAYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-3-12(10-4-6-11(19-2)7-5-10)16-21(17,18)14-9-8-13(15)20-14/h4-9,12,16H,3H2,1-2H3.
What are the key properties of 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide?
5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60652296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).