N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide

C11H12BrNO2S3 — CID 47318970

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cc(Br)cs2)s1
InChIInChI=1S/C11H12BrNO2S3/c1-8-3-4-11(17-8)18(14,15)13(2)6-10-5-9(12)7-16-10/h3-5,7H,6H2,1-2H3
InChIKeyOWZVRWDJUDOIFB-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.70
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide

N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide (PubChem CID 47318970) has the molecular formula C11H12BrNO2S3 and a molecular weight of 366.33 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
PubChem CID47318970
Molecular FormulaC11H12BrNO2S3
Molecular Weight366.33 g/mol
Exact Mass364.92
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cc(Br)cs2)s1
InChIInChI=1S/C11H12BrNO2S3/c1-8-3-4-11(17-8)18(14,15)13(2)6-10-5-9(12)7-16-10/h3-5,7H,6H2,1-2H3
InChIKeyOWZVRWDJUDOIFB-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzenesulfonamide
CID 63420380
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 54913854
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47318835
N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide
CID 61073955
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697383
N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
CID 110732957
N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide
CID 61355035
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027
N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 54978733
N-[(4-bromothiophen-2-yl)methyl]-2-cyano-N-methylbenzenesulfonamide
CID 47318833

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide (CID 47318970) is N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2cc(Br)cs2)s1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The InChIKey is OWZVRWDJUDOIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S3/c1-8-3-4-11(17-8)18(14,15)13(2)6-10-5-9(12)7-16-10/h3-5,7H,6H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide has a molecular weight of 366.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 47318970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).