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

C14H21ClN2O3S — CID 82879875

IUPAC3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)NCC1(C)CCCO1
InChIInChI=1S/C14H21ClN2O3S/c1-10-11(8-16)6-12(15)7-13(10)21(18,19)17-9-14(2)4-3-5-20-14/h6-7,17H,3-5,8-9,16H2,1-2H3
InChIKeySVKDGSAPRNULMF-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.95
Rot. Bonds5

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

3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide (PubChem CID 82879875) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide
PubChem CID82879875
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)NCC1(C)CCCO1
InChIInChI=1S/C14H21ClN2O3S/c1-10-11(8-16)6-12(15)7-13(10)21(18,19)17-9-14(2)4-3-5-20-14/h6-7,17H,3-5,8-9,16H2,1-2H3
InChIKeySVKDGSAPRNULMF-UHFFFAOYSA-N
XLogP1.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide (CID 82879875) is 3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)NCC1(C)CCCO1.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide?
The InChIKey is SVKDGSAPRNULMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10-11(8-16)6-12(15)7-13(10)21(18,19)17-9-14(2)4-3-5-20-14/h6-7,17H,3-5,8-9,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.95, 5 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-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82879875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).