2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide

C15H22BrNO4S2 — CID 60568415

IUPAC2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br
InChIInChI=1S/C15H22BrNO4S2/c1-3-17(12-7-5-4-6-8-12)23(20,21)15-11-13(22(2,18)19)9-10-14(15)16/h9-12H,3-8H2,1-2H3
InChIKeyXYGYTUCIFGAUKN-UHFFFAOYSA-N
MW424.38 g/mol
LogP3.20
Rot. Bonds5

About 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide

2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 60568415) has the molecular formula C15H22BrNO4S2 and a molecular weight of 424.38 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide
PubChem CID60568415
Molecular FormulaC15H22BrNO4S2
Molecular Weight424.38 g/mol
Exact Mass423.02
IUPAC Name2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br
InChIInChI=1S/C15H22BrNO4S2/c1-3-17(12-7-5-4-6-8-12)23(20,21)15-11-13(22(2,18)19)9-10-14(15)16/h9-12H,3-8H2,1-2H3
InChIKeyXYGYTUCIFGAUKN-UHFFFAOYSA-N
XLogP3.20
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48944539
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
2-bromo-N,N-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 47371602
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
N-(azetidin-3-yl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66183403
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 91670159
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
2,3,4-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 50876130

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide (CID 60568415) is 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is XYGYTUCIFGAUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4S2/c1-3-17(12-7-5-4-6-8-12)23(20,21)15-11-13(22(2,18)19)9-10-14(15)16/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide?
2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 424.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 60568415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).