5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide

C12H17BrClNO2S2 — CID 80578771

IUPAC5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H17BrClNO2S2/c1-2-15(9-6-4-3-5-7-9)19(16,17)11-8-10(14)12(13)18-11/h8-9H,2-7H2,1H3
InChIKeyOAKGBXPUVNHNFN-UHFFFAOYSA-N
MW386.76 g/mol
LogP4.51
Rot. Bonds4

About 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide

5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide (PubChem CID 80578771) has the molecular formula C12H17BrClNO2S2 and a molecular weight of 386.76 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
PubChem CID80578771
Molecular FormulaC12H17BrClNO2S2
Molecular Weight386.76 g/mol
Exact Mass384.96
IUPAC Name5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H17BrClNO2S2/c1-2-15(9-6-4-3-5-7-9)19(16,17)11-8-10(14)12(13)18-11/h8-9H,2-7H2,1H3
InChIKeyOAKGBXPUVNHNFN-UHFFFAOYSA-N
XLogP4.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80577585
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide
CID 80578200
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
2,3,4-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 50876130
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide
CID 60568415
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736
5-bromo-4-chloro-N-(2-chloroethyl)-N-propylthiophene-2-sulfonamide
CID 80578653
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 80697368
6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48944539

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide (CID 80578771) is 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide?
The InChIKey is OAKGBXPUVNHNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO2S2/c1-2-15(9-6-4-3-5-7-9)19(16,17)11-8-10(14)12(13)18-11/h8-9H,2-7H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide?
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide has a molecular weight of 386.76 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 80578771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).