N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide

C13H15BrN2O2S2 — CID 107354221

IUPACN-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccccc1NS(C)(=O)=O)c1cc(Br)cs1
InChIInChI=1S/C13H15BrN2O2S2/c1-9(13-7-10(14)8-19-13)15-11-5-3-4-6-12(11)16-20(2,17)18/h3-9,15-16H,1-2H3
InChIKeyCNKBRGHOAKQNNH-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.06
Rot. Bonds5

About N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide

N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide (PubChem CID 107354221) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
PubChem CID107354221
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC NameN-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccccc1NS(C)(=O)=O)c1cc(Br)cs1
InChIInChI=1S/C13H15BrN2O2S2/c1-9(13-7-10(14)8-19-13)15-11-5-3-4-6-12(11)16-20(2,17)18/h3-9,15-16H,1-2H3
InChIKeyCNKBRGHOAKQNNH-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
CID 107354041
N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
CID 107167652
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 107354051
N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
CID 107354158
N-[1-(4-bromothiophen-2-yl)ethyl]-5-iodo-2-methylaniline
CID 114257070
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 107167355
N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
CID 43744105
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107354244
N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 54881791
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide (CID 107354221) is N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide is CC(Nc1ccccc1NS(C)(=O)=O)c1cc(Br)cs1.
What is the InChIKey of N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is CNKBRGHOAKQNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-9(13-7-10(14)8-19-13)15-11-5-3-4-6-12(11)16-20(2,17)18/h3-9,15-16H,1-2H3.
What are the key properties of N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide?
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 375.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 107354221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).