3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide

C17H26BrNO2S — CID 91670159

IUPAC3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C17H26BrNO2S/c1-5-19(15-9-7-6-8-10-15)22(20,21)17-13(3)11-12(2)16(18)14(17)4/h11,15H,5-10H2,1-4H3
InChIKeyWDLLJMVDZRBGHR-UHFFFAOYSA-N
MW388.37 g/mol
LogP4.72
Rot. Bonds4

About 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide

3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide (PubChem CID 91670159) has the molecular formula C17H26BrNO2S and a molecular weight of 388.37 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide
PubChem CID91670159
Molecular FormulaC17H26BrNO2S
Molecular Weight388.37 g/mol
Exact Mass387.09
IUPAC Name3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C17H26BrNO2S/c1-5-19(15-9-7-6-8-10-15)22(20,21)17-13(3)11-12(2)16(18)14(17)4/h11,15H,5-10H2,1-4H3
InChIKeyWDLLJMVDZRBGHR-UHFFFAOYSA-N
XLogP4.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102750332
N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404
2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide
CID 60568415
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48944539
3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
CID 43540763
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 42912908

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide (CID 91670159) is 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)c(Br)c1C.
What is the InChIKey of 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is WDLLJMVDZRBGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2S/c1-5-19(15-9-7-6-8-10-15)22(20,21)17-13(3)11-12(2)16(18)14(17)4/h11,15H,5-10H2,1-4H3.
What are the key properties of 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 388.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 91670159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).