2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide

C14H16ClN3O2S — CID 61047395

IUPAC2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESCC(C)N(Cc1cccnc1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-11(2)18(10-12-5-3-7-16-9-12)21(19,20)13-6-4-8-17-14(13)15/h3-9,11H,10H2,1-2H3
InChIKeyYZYRTRDKXRIGIQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.73
Rot. Bonds5

About 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide

2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 61047395) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID61047395
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESCC(C)N(Cc1cccnc1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-11(2)18(10-12-5-3-7-16-9-12)21(19,20)13-6-4-8-17-14(13)15/h3-9,11H,10H2,1-2H3
InChIKeyYZYRTRDKXRIGIQ-UHFFFAOYSA-N
XLogP2.73
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61042316
2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 60530970
N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54877056
2-[(2-fluorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 167877301
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61047622
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 43563717
N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 61045073
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (CID 61047395) is 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is CC(C)N(Cc1cccnc1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is YZYRTRDKXRIGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-11(2)18(10-12-5-3-7-16-9-12)21(19,20)13-6-4-8-17-14(13)15/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61047395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).