6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide

C12H19ClN4O2S — CID 64602628

IUPAC6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C12H19ClN4O2S/c1-2-17-4-3-9(8-17)6-16-20(18,19)10-5-11(13)12(14)15-7-10/h5,7,9,16H,2-4,6,8H2,1H3,(H2,14,15)
InChIKeyFXWTTZWTPZKLDN-UHFFFAOYSA-N
MW318.83 g/mol
LogP0.94
Rot. Bonds5

About 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide

6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 64602628) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID64602628
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C12H19ClN4O2S/c1-2-17-4-3-9(8-17)6-16-20(18,19)10-5-11(13)12(14)15-7-10/h5,7,9,16H,2-4,6,8H2,1H3,(H2,14,15)
InChIKeyFXWTTZWTPZKLDN-UHFFFAOYSA-N
XLogP0.94
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64601870
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 60857487
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62147918
6-amino-5-chloro-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 64602485
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
5-bromo-2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61059517
6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 64601682
6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64600942
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 114379022
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 60857328
N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157065
4-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62146860

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide (CID 64602628) is 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is CCN1CCC(CNS(=O)(=O)c2cnc(N)c(Cl)c2)C1.
What is the InChIKey of 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is FXWTTZWTPZKLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-2-17-4-3-9(8-17)6-16-20(18,19)10-5-11(13)12(14)15-7-10/h5,7,9,16H,2-4,6,8H2,1H3,(H2,14,15).
What are the key properties of 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide?
6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64602628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).