6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide

C9H14ClN3O4S2 — CID 64602641

IUPAC6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C9H14ClN3O4S2/c1-18(14,15)4-2-3-13-19(16,17)7-5-8(10)9(11)12-6-7/h5-6,13H,2-4H2,1H3,(H2,11,12)
InChIKeyWUWHXBDREYLMQW-UHFFFAOYSA-N
MW327.82 g/mol
LogP0.03
Rot. Bonds6

About 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide

6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide (PubChem CID 64602641) has the molecular formula C9H14ClN3O4S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
PubChem CID64602641
Molecular FormulaC9H14ClN3O4S2
Molecular Weight327.82 g/mol
Exact Mass327.01
IUPAC Name6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C9H14ClN3O4S2/c1-18(14,15)4-2-3-13-19(16,17)7-5-8(10)9(11)12-6-7/h5-6,13H,2-4H2,1H3,(H2,11,12)
InChIKeyWUWHXBDREYLMQW-UHFFFAOYSA-N
XLogP0.03
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
6-amino-5-chloro-N-(3-cyclopentylpropyl)pyridine-3-sulfonamide
CID 106014920
6-amino-5-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64601703
6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64606219
6-amino-5-chloro-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83023337
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
6-amino-5-chloro-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 64607542
6-amino-5-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 64600162
6-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64601679
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
CID 64602106

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide (CID 64602641) is 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide is CS(=O)(=O)CCCNS(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The InChIKey is WUWHXBDREYLMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O4S2/c1-18(14,15)4-2-3-13-19(16,17)7-5-8(10)9(11)12-6-7/h5-6,13H,2-4H2,1H3,(H2,11,12).
What are the key properties of 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide has a molecular weight of 327.82 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64602641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).