3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide

C13H18BrClN2O2S — CID 62955309

IUPAC3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCC2CCCCC2)c1Br
InChIInChI=1S/C13H18BrClN2O2S/c14-13-11(16)6-10(15)7-12(13)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2
InChIKeyNOPAQSXCVSXVIM-UHFFFAOYSA-N
MW381.72 g/mol
LogP3.54
Rot. Bonds4

About 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide (PubChem CID 62955309) has the molecular formula C13H18BrClN2O2S and a molecular weight of 381.72 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
PubChem CID62955309
Molecular FormulaC13H18BrClN2O2S
Molecular Weight381.72 g/mol
Exact Mass380.00
IUPAC Name3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCC2CCCCC2)c1Br
InChIInChI=1S/C13H18BrClN2O2S/c14-13-11(16)6-10(15)7-12(13)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2
InChIKeyNOPAQSXCVSXVIM-UHFFFAOYSA-N
XLogP3.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119168
3-amino-2-bromo-5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 62955842
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
3-amino-2-bromo-5-chloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 62955823
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
CID 55152906
3-amino-5-chloro-2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 103050953

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide (CID 62955309) is 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCC2CCCCC2)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide?
The InChIKey is NOPAQSXCVSXVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O2S/c14-13-11(16)6-10(15)7-12(13)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide has a molecular weight of 381.72 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide is sourced from PubChem (CID 62955309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).