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

C14H21ClN2O3S — CID 82879991

IUPAC3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)N(C)C1CCOC1C
InChIInChI=1S/C14H21ClN2O3S/c1-9-11(8-16)6-12(15)7-14(9)21(18,19)17(3)13-4-5-20-10(13)2/h6-7,10,13H,4-5,8,16H2,1-3H3
InChIKeyHUHLOHAOPMFJLS-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.91
Rot. Bonds4

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

3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82879991) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82879991
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)N(C)C1CCOC1C
InChIInChI=1S/C14H21ClN2O3S/c1-9-11(8-16)6-12(15)7-14(9)21(18,19)17(3)13-4-5-20-10(13)2/h6-7,10,13H,4-5,8,16H2,1-3H3
InChIKeyHUHLOHAOPMFJLS-UHFFFAOYSA-N
XLogP1.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82878733
2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735715
3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076335
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82885355
5-(chloromethyl)-3-fluoro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748457
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82745252
3-(aminomethyl)-5-chloro-2-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 82885435
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82734442
[5-chloro-2-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenyl]methanamine
CID 82879496
2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740399

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82879991) is 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)N(C)C1CCOC1C.
What is the InChIKey of 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is HUHLOHAOPMFJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-9-11(8-16)6-12(15)7-14(9)21(18,19)17(3)13-4-5-20-10(13)2/h6-7,10,13H,4-5,8,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide?
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82879991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).