5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide

C14H21BrN2O3S — CID 103965250

IUPAC5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCC2(CO)CCCCC2)c1
InChIInChI=1S/C14H21BrN2O3S/c15-12-5-4-11(16)8-13(12)21(19,20)17-9-14(10-18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,9-10,16H2
InChIKeyKQZOILJWIPIPQA-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.25
Rot. Bonds5

About 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide

5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide (PubChem CID 103965250) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
PubChem CID103965250
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCC2(CO)CCCCC2)c1
InChIInChI=1S/C14H21BrN2O3S/c15-12-5-4-11(16)8-13(12)21(19,20)17-9-14(10-18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,9-10,16H2
InChIKeyKQZOILJWIPIPQA-UHFFFAOYSA-N
XLogP2.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357869
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
5-amino-4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 114625986
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 75431366
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357865
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 103965259
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
5-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 115755592
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide (CID 103965250) is 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)NCC2(CO)CCCCC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is KQZOILJWIPIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c15-12-5-4-11(16)8-13(12)21(19,20)17-9-14(10-18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,9-10,16H2.
What are the key properties of 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide?
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 103965250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).