3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H16BrClN2O3S — CID 106119168

IUPAC3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCC2CCC(O)C2)c1Br
InChIInChI=1S/C12H16BrClN2O3S/c13-12-10(15)4-8(14)5-11(12)20(18,19)16-6-7-1-2-9(17)3-7/h4-5,7,9,16-17H,1-3,6,15H2
InChIKeyZIMHACHYUKRVAL-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 106119168) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID106119168
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCC2CCC(O)C2)c1Br
InChIInChI=1S/C12H16BrClN2O3S/c13-12-10(15)4-8(14)5-11(12)20(18,19)16-6-7-1-2-9(17)3-7/h4-5,7,9,16-17H,1-3,6,15H2
InChIKeyZIMHACHYUKRVAL-UHFFFAOYSA-N
XLogP2.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.12
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

3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309
3-amino-2-bromo-5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 62955842
2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119157
2-amino-4,6-dibromo-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119165
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416
2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
CID 106119187
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119401

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 106119168) is 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCC2CCC(O)C2)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is ZIMHACHYUKRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c13-12-10(15)4-8(14)5-11(12)20(18,19)16-6-7-1-2-9(17)3-7/h4-5,7,9,16-17H,1-3,6,15H2.
What are the key properties of 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 383.70 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106119168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).