3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C14H16BrNO3S2 — CID 60652342

IUPAC3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2sccc2C)cc1Br
InChIInChI=1S/C14H16BrNO3S2/c1-10-6-7-20-14(10)9-16(2)21(17,18)11-4-5-13(19-3)12(15)8-11/h4-8H,9H2,1-3H3
InChIKeyBJALZLHECLFXFM-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.65
Rot. Bonds5

About 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 60652342) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID60652342
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC Name3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2sccc2C)cc1Br
InChIInChI=1S/C14H16BrNO3S2/c1-10-6-7-20-14(10)9-16(2)21(17,18)11-4-5-13(19-3)12(15)8-11/h4-8H,9H2,1-3H3
InChIKeyBJALZLHECLFXFM-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81435953
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
5-amino-4-bromo-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 114625318
3-bromo-4-methoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060027
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 30329135
N-[4-methoxy-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 9406654
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 60652342) is 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2sccc2C)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is BJALZLHECLFXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-10-6-7-20-14(10)9-16(2)21(17,18)11-4-5-13(19-3)12(15)8-11/h4-8H,9H2,1-3H3.
What are the key properties of 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 60652342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).