5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H20ClN3O2S — CID 106025172

IUPAC5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(CN)ccc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-17-6-4-11(5-7-17)16-20(18,19)13-8-10(9-15)2-3-12(13)14/h2-3,8,11,16H,4-7,9,15H2,1H3
InChIKeyUPWPDSFCFJTIES-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.17
Rot. Bonds4

About 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide

5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 106025172) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID106025172
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(CN)ccc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-17-6-4-11(5-7-17)16-20(18,19)13-8-10(9-15)2-3-12(13)14/h2-3,8,11,16H,4-7,9,15H2,1H3
InChIKeyUPWPDSFCFJTIES-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025455
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 22772557
2-bromo-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025360
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
CID 120998895
2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084371
2-bromo-4-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025266
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
5-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102915813
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 106025172) is 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2cc(CN)ccc2Cl)CC1.
What is the InChIKey of 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is UPWPDSFCFJTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-17-6-4-11(5-7-17)16-20(18,19)13-8-10(9-15)2-3-12(13)14/h2-3,8,11,16H,4-7,9,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 106025172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).