3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

C13H19ClN2O3S — CID 106076335

IUPAC3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H19ClN2O3S/c1-8-10(7-15)5-11(14)6-13(8)20(17,18)16-12-3-4-19-9(12)2/h5-6,9,12,16H,3-4,7,15H2,1-2H3
InChIKeyOJYXJRJYCSFSOT-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.56
Rot. Bonds4

About 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide

3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 106076335) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID106076335
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H19ClN2O3S/c1-8-10(7-15)5-11(14)6-13(8)20(17,18)16-12-3-4-19-9(12)2/h5-6,9,12,16H,3-4,7,15H2,1-2H3
InChIKeyOJYXJRJYCSFSOT-UHFFFAOYSA-N
XLogP1.56
TPSA81.42 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076311
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82879991
3-(aminomethyl)-5-chloro-2-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 106065388
3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725620
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089995
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749
5-chloro-3-(ethylaminomethyl)-2-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 82885354
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
3-(aminomethyl)-5-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 82878357

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 106076335) is 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCOC1C.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is OJYXJRJYCSFSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8-10(7-15)5-11(14)6-13(8)20(17,18)16-12-3-4-19-9(12)2/h5-6,9,12,16H,3-4,7,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106076335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).