1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide

C14H20BrNO2S — CID 30397246

IUPAC1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-16(14-5-3-2-4-6-14)19(17,18)11-12-7-9-13(15)10-8-12/h7-10,14H,2-6,11H2,1H3
InChIKeyCHYAATHBRQRTJQ-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide

1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide (PubChem CID 30397246) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
PubChem CID30397246
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2S/c1-16(14-5-3-2-4-6-14)19(17,18)11-12-7-9-13(15)10-8-12/h7-10,14H,2-6,11H2,1H3
InChIKeyCHYAATHBRQRTJQ-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide (CID 30397246) is 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide is CN(C1CCCCC1)S(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide?
The InChIKey is CHYAATHBRQRTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-16(14-5-3-2-4-6-14)19(17,18)11-12-7-9-13(15)10-8-12/h7-10,14H,2-6,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide?
1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-cyclohexyl-N-methylmethanesulfonamide is sourced from PubChem (CID 30397246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).