6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide

C19H20ClN5O2S2 — CID 146421693

IUPAC6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O2S2/c20-17-8-16(29(26,27)24-18-12-28-13-22-18)9-21-19(17)23-15-6-7-25(11-15)10-14-4-2-1-3-5-14/h1-5,8-9,12-13,15,24H,6-7,10-11H2,(H,21,23)/t15-/m1/s1
InChIKeyHCTZYOBVDKYYQC-OAHLLOKOSA-N
MW449.99 g/mol
LogP3.68
Rot. Bonds7

About 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide

6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide (PubChem CID 146421693) has the molecular formula C19H20ClN5O2S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
PubChem CID146421693
Molecular FormulaC19H20ClN5O2S2
Molecular Weight449.99 g/mol
Exact Mass449.07
IUPAC Name6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cscn1)c1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O2S2/c20-17-8-16(29(26,27)24-18-12-28-13-22-18)9-21-19(17)23-15-6-7-25(11-15)10-14-4-2-1-3-5-14/h1-5,8-9,12-13,15,24H,6-7,10-11H2,(H,21,23)/t15-/m1/s1
InChIKeyHCTZYOBVDKYYQC-OAHLLOKOSA-N
XLogP3.68
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-2-fluoroprop-2-enoic acid
CID 68960130
3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91171302
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-2-fluoro-N-hydroxyprop-2-enamide;dihydrochloride
CID 173124784
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
5-chloro-2-fluoro-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 175106146
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
5-chloro-6-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
CID 146430499
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpiperidin-3-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 60503346
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide (CID 146421693) is 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1cscn1)c1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1.
What is the InChIKey of 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is HCTZYOBVDKYYQC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20ClN5O2S2/c20-17-8-16(29(26,27)24-18-12-28-13-22-18)9-21-19(17)23-15-6-7-25(11-15)10-14-4-2-1-3-5-14/h1-5,8-9,12-13,15,24H,6-7,10-11H2,(H,21,23)/t15-/m1/s1.
What are the key properties of 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide?
6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 449.99 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 146421693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).