2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide

C13H19ClN2O3S — CID 114947133

IUPAC2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O3S/c1-16(9-13(17)6-2-3-7-13)20(18,19)12-8-10(14)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3
InChIKeyLIOGNAOHZWRYAD-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide

2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 114947133) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
PubChem CID114947133
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O3S/c1-16(9-13(17)6-2-3-7-13)20(18,19)12-8-10(14)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3
InChIKeyLIOGNAOHZWRYAD-UHFFFAOYSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.85
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

4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947090
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 114947166
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
4-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzenesulfonamide
CID 114951831
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114386523
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 114951772
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114948667
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide (CID 114947133) is 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is LIOGNAOHZWRYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-16(9-13(17)6-2-3-7-13)20(18,19)12-8-10(14)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3.
What are the key properties of 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide?
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 114947133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).