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

C13H19ClN2O3S — CID 114379842

IUPAC3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NCC1CCCC1O
InChIInChI=1S/C13H19ClN2O3S/c1-8-11(15)5-10(14)6-13(8)20(18,19)16-7-9-3-2-4-12(9)17/h5-6,9,12,16-17H,2-4,7,15H2,1H3
InChIKeyIMESWNFODQOYMY-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.67
Rot. Bonds4

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

3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 114379842) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
PubChem CID114379842
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NCC1CCCC1O
InChIInChI=1S/C13H19ClN2O3S/c1-8-11(15)5-10(14)6-13(8)20(18,19)16-7-9-3-2-4-12(9)17/h5-6,9,12,16-17H,2-4,7,15H2,1H3
InChIKeyIMESWNFODQOYMY-UHFFFAOYSA-N
XLogP1.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.67
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-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103051627
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201
3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 114379022
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
4-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150733
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide (CID 114379842) is 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)NCC1CCCC1O.
What is the InChIKey of 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is IMESWNFODQOYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8-11(15)5-10(14)6-13(8)20(18,19)16-7-9-3-2-4-12(9)17/h5-6,9,12,16-17H,2-4,7,15H2,1H3.
What are the key properties of 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 114379842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).