4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H16BrNO3S2 — CID 9267851

IUPAC4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Br
InChIInChI=1S/C14H16BrNO3S2/c1-2-7-19-14-9-12(5-6-13(14)15)21(17,18)16-10-11-4-3-8-20-11/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyABZKMNWKUKYQHQ-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.78
Rot. Bonds7

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

4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9267851) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9267851
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Br
InChIInChI=1S/C14H16BrNO3S2/c1-2-7-19-14-9-12(5-6-13(14)15)21(17,18)16-10-11-4-3-8-20-11/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyABZKMNWKUKYQHQ-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202750
4-chloro-3-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1259590
4-bromo-N-[(4-methoxyphenyl)methyl]-3-propoxybenzenesulfonamide
CID 91758593
4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide
CID 16645093
4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202847
1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 29222692
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
4-bromo-3-propoxybenzenesulfonyl chloride
CID 50876046
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9267851) is 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Br.
What is the InChIKey of 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ABZKMNWKUKYQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-2-7-19-14-9-12(5-6-13(14)15)21(17,18)16-10-11-4-3-8-20-11/h3-6,8-9,16H,2,7,10H2,1H3.
What are the key properties of 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9267851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).