5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide

C14H20BrNO4S — CID 102635646

IUPAC5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O
InChIInChI=1S/C14H20BrNO4S/c1-16(11-5-3-4-6-12(11)17)21(18,19)14-9-10(15)7-8-13(14)20-2/h7-9,11-12,17H,3-6H2,1-2H3
InChIKeyKDKFOKRBTNOWPR-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide

5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 102635646) has the molecular formula C14H20BrNO4S and a molecular weight of 378.29 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID102635646
Molecular FormulaC14H20BrNO4S
Molecular Weight378.29 g/mol
Exact Mass377.03
IUPAC Name5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O
InChIInChI=1S/C14H20BrNO4S/c1-16(11-5-3-4-6-12(11)17)21(18,19)14-9-10(15)7-8-13(14)20-2/h7-9,11-12,17H,3-6H2,1-2H3
InChIKeyKDKFOKRBTNOWPR-UHFFFAOYSA-N
XLogP2.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
5-bromo-2-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301327
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631263
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64913301
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 60827550
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
CID 124758353
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62818536

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide (CID 102635646) is 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O.
What is the InChIKey of 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is KDKFOKRBTNOWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4S/c1-16(11-5-3-4-6-12(11)17)21(18,19)14-9-10(15)7-8-13(14)20-2/h7-9,11-12,17H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide?
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 378.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 102635646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).