5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide

C14H20BrNO3S — CID 102635699

IUPAC5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O
InChIInChI=1S/C14H20BrNO3S/c1-10-7-8-11(15)9-14(10)20(18,19)16(2)12-5-3-4-6-13(12)17/h7-9,12-13,17H,3-6H2,1-2H3
InChIKeyZLFNLDAAOGMSKP-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide

5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 102635699) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
PubChem CID102635699
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O
InChIInChI=1S/C14H20BrNO3S/c1-10-7-8-11(15)9-14(10)20(18,19)16(2)12-5-3-4-6-13(12)17/h7-9,12-13,17H,3-6H2,1-2H3
InChIKeyZLFNLDAAOGMSKP-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706282
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631263
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102638654
N-(azetidin-3-yl)-5-bromo-N,2-dimethylbenzenesulfonamide
CID 66188282
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
N-(2-aminocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102639287
2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
CID 98557309
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 60539936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide (CID 102635699) is 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O.
What is the InChIKey of 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is ZLFNLDAAOGMSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-10-7-8-11(15)9-14(10)20(18,19)16(2)12-5-3-4-6-13(12)17/h7-9,12-13,17H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide?
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 102635699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).