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

C14H21BrN2O3S — CID 102631263

IUPAC3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O
InChIInChI=1S/C14H21BrN2O3S/c1-9-11(16)7-10(15)8-14(9)21(19,20)17(2)12-5-3-4-6-13(12)18/h7-8,12-13,18H,3-6,16H2,1-2H3
InChIKeyYVWOKDQQFNPLQF-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.26
Rot. Bonds3

About 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide

3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 102631263) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
PubChem CID102631263
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O
InChIInChI=1S/C14H21BrN2O3S/c1-9-11(16)7-10(15)8-14(9)21(19,20)17(2)12-5-3-4-6-13(12)18/h7-8,12-13,18H,3-6,16H2,1-2H3
InChIKeyYVWOKDQQFNPLQF-UHFFFAOYSA-N
XLogP2.26
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
3-amino-5-bromo-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 114378838
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102631283
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
3-amino-5-bromo-N,2-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 114379300
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706282
methyl 2-[(3-amino-5-bromo-2-methylphenyl)sulfonyl-methylamino]acetate
CID 114378745

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide (CID 102631263) is 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide is Cc1c(N)cc(Br)cc1S(=O)(=O)N(C)C1CCCCC1O.
What is the InChIKey of 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is YVWOKDQQFNPLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-9-11(16)7-10(15)8-14(9)21(19,20)17(2)12-5-3-4-6-13(12)18/h7-8,12-13,18H,3-6,16H2,1-2H3.
What are the key properties of 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide?
3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 102631263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).