5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide

C13H21Cl2N3O2S — CID 64608986

IUPAC5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H21Cl2N3O2S/c1-10(2)18(3)7-5-4-6-17-21(19,20)11-8-12(14)13(15)16-9-11/h8-10,17H,4-7H2,1-3H3
InChIKeyTVZINHBKPVRHNN-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.79
Rot. Bonds8

About 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide

5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide (PubChem CID 64608986) has the molecular formula C13H21Cl2N3O2S and a molecular weight of 354.30 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
PubChem CID64608986
Molecular FormulaC13H21Cl2N3O2S
Molecular Weight354.30 g/mol
Exact Mass353.07
IUPAC Name5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H21Cl2N3O2S/c1-10(2)18(3)7-5-4-6-17-21(19,20)11-8-12(14)13(15)16-9-11/h8-10,17H,4-7H2,1-3H3
InChIKeyTVZINHBKPVRHNN-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115641392
5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
CID 64608604
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 64608220
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
CID 106033856

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide (CID 64608986) is 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide is CC(C)N(C)CCCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide?
The InChIKey is TVZINHBKPVRHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N3O2S/c1-10(2)18(3)7-5-4-6-17-21(19,20)11-8-12(14)13(15)16-9-11/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide has a molecular weight of 354.30 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64608986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).