N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide

C12H18BrNO2S2 — CID 54984667

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H18BrNO2S2/c1-14(8-11-7-10(13)9-17-11)18(15,16)12-5-3-2-4-6-12/h7,9,12H,2-6,8H2,1H3
InChIKeyMOUWFEVOWADIQY-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.60
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide

N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide (PubChem CID 54984667) has the molecular formula C12H18BrNO2S2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
PubChem CID54984667
Molecular FormulaC12H18BrNO2S2
Molecular Weight352.32 g/mol
Exact Mass351.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H18BrNO2S2/c1-14(8-11-7-10(13)9-17-11)18(15,16)12-5-3-2-4-6-12/h7,9,12H,2-6,8H2,1H3
InChIKeyMOUWFEVOWADIQY-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide (CID 54984667) is N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide is CN(Cc1cc(Br)cs1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide?
The InChIKey is MOUWFEVOWADIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S2/c1-14(8-11-7-10(13)9-17-11)18(15,16)12-5-3-2-4-6-12/h7,9,12H,2-6,8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide has a molecular weight of 352.32 g/mol, XLogP of 3.60, 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]-N-methylcyclohexanesulfonamide is sourced from PubChem (CID 54984667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).