N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide

C12H12BrNO2S2 — CID 79471456

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1sccc1Br
InChIInChI=1S/C12H12BrNO2S2/c1-9-4-2-3-5-12(9)18(15,16)14-8-11-10(13)6-7-17-11/h2-7,14H,8H2,1H3
InChIKeyGLGULALHDYWECU-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.30
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide

N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 79471456) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID79471456
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1sccc1Br
InChIInChI=1S/C12H12BrNO2S2/c1-9-4-2-3-5-12(9)18(15,16)14-8-11-10(13)6-7-17-11/h2-7,14H,8H2,1H3
InChIKeyGLGULALHDYWECU-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(3-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 78983691
5-(aminomethyl)-3-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 81481745
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
N-[(3-bromothiophen-2-yl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088311
N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 2811533
3-bromo-5-(hydroxymethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81480783
3-amino-4-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-chloro-2-fluorobenzenesulfonamide
CID 103077587
N-[(3-bromothiophen-2-yl)methyl]-2,3-difluoro-5-(hydroxymethyl)benzenesulfonamide
CID 105117635
2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 78997965
2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 71781699
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 35609931

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide (CID 79471456) is N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is GLGULALHDYWECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-9-4-2-3-5-12(9)18(15,16)14-8-11-10(13)6-7-17-11/h2-7,14H,8H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide?
N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 346.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79471456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).