5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide

C11H18ClN3O4S — CID 136574876

IUPAC5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnc(NCCCO)c(Cl)c1
InChIInChI=1S/C11H18ClN3O4S/c1-19-6-4-15-20(17,18)9-7-10(12)11(14-8-9)13-3-2-5-16/h7-8,15-16H,2-6H2,1H3,(H,13,14)
InChIKeyCYLMEFSDWUIKMN-UHFFFAOYSA-N
MW323.80 g/mol
LogP0.45
Rot. Bonds9

About 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide

5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide (PubChem CID 136574876) has the molecular formula C11H18ClN3O4S and a molecular weight of 323.80 g/mol. Its IUPAC name is 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
PubChem CID136574876
Molecular FormulaC11H18ClN3O4S
Molecular Weight323.80 g/mol
Exact Mass323.07
IUPAC Name5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnc(NCCCO)c(Cl)c1
InChIInChI=1S/C11H18ClN3O4S/c1-19-6-4-15-20(17,18)9-7-10(12)11(14-8-9)13-3-2-5-16/h7-8,15-16H,2-6H2,1H3,(H,13,14)
InChIKeyCYLMEFSDWUIKMN-UHFFFAOYSA-N
XLogP0.45
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 9280425
7-CHLORO-3-METHYL-4H-PYRIDO[2,3-e] [1,2,4]THIADIAZINE 1,1-DIOXIDE
CID 10633310
2-[(2-Methoxyethyl)amino]-5-(pyrrolidinylsulfonyl)pyridine
CID 2524141
7-Chloro-4-ethyl-2,3-dihydropyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 25147766
7-chloro-3-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 46233674
2-amino-5-chloro-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 75387454
5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
CID 79385956
5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide
CID 136574853
5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide
CID 136574873
3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 136574903
N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 136574943
3-chloro-5-[(3S)-3-(dimethylamino)piperidin-1-yl]sulfonyl-N-ethylpyridin-2-amine
CID 164632482

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide (CID 136574876) is 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide is COCCNS(=O)(=O)c1cnc(NCCCO)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The InChIKey is CYLMEFSDWUIKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O4S/c1-19-6-4-15-20(17,18)9-7-10(12)11(14-8-9)13-3-2-5-16/h7-8,15-16H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide?
5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide has a molecular weight of 323.80 g/mol, XLogP of 0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-hydroxypropylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 136574876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).