5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide

C14H20BrNO4S — CID 64913301

IUPAC5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C14H20BrNO4S/c1-20-13-7-6-11(15)8-14(13)21(18,19)16-9-10-4-2-3-5-12(10)17/h6-8,10,12,16-17H,2-5,9H2,1H3
InChIKeyWZULYXBGYKDSKS-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.29
Rot. Bonds5

About 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide

5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 64913301) has the molecular formula C14H20BrNO4S and a molecular weight of 378.29 g/mol. Its IUPAC name is 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID64913301
Molecular FormulaC14H20BrNO4S
Molecular Weight378.29 g/mol
Exact Mass377.03
IUPAC Name5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C14H20BrNO4S/c1-20-13-7-6-11(15)8-14(13)21(18,19)16-9-10-4-2-3-5-12(10)17/h6-8,10,12,16-17H,2-5,9H2,1H3
InChIKeyWZULYXBGYKDSKS-UHFFFAOYSA-N
XLogP2.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
trans-(1S,2R)-2-[[(5-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 108781400
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
trans-(1S,2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 95789130
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide (CID 64913301) is 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCC1CCCCC1O.
What is the InChIKey of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is WZULYXBGYKDSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4S/c1-20-13-7-6-11(15)8-14(13)21(18,19)16-9-10-4-2-3-5-12(10)17/h6-8,10,12,16-17H,2-5,9H2,1H3.
What are the key properties of 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 378.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 64913301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).