N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide

C12H10BrCl2NO2S2 — CID 61073955

IUPACN-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10BrCl2NO2S2/c1-16(6-9-4-8(13)7-19-9)20(17,18)10-2-3-11(14)12(15)5-10/h2-5,7H,6H2,1H3
InChIKeyBDINHFOZJQDUTF-UHFFFAOYSA-N
MW415.16 g/mol
LogP4.64
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide

N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide (PubChem CID 61073955) has the molecular formula C12H10BrCl2NO2S2 and a molecular weight of 415.16 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide
PubChem CID61073955
Molecular FormulaC12H10BrCl2NO2S2
Molecular Weight415.16 g/mol
Exact Mass412.87
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10BrCl2NO2S2/c1-16(6-9-4-8(13)7-19-9)20(17,18)10-2-3-11(14)12(15)5-10/h2-5,7H,6H2,1H3
InChIKeyBDINHFOZJQDUTF-UHFFFAOYSA-N
XLogP4.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.16
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzenesulfonamide
CID 63420380
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697383
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47318970
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide
CID 37498744
N-[(4-bromothiophen-2-yl)methyl]-2-chloro-N-methyl-5-methylsulfonylbenzamide
CID 55780788
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47318835
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 107091417
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide
CID 61355035
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide (CID 61073955) is N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide is CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide?
The InChIKey is BDINHFOZJQDUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NO2S2/c1-16(6-9-4-8(13)7-19-9)20(17,18)10-2-3-11(14)12(15)5-10/h2-5,7H,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide?
N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide has a molecular weight of 415.16 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 61073955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).