2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide

C14H14ClN3O2S — CID 61042316

IUPAC2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1Cl)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C14H14ClN3O2S/c15-14-13(4-2-8-17-14)21(19,20)18(12-5-6-12)10-11-3-1-7-16-9-11/h1-4,7-9,12H,5-6,10H2
InChIKeyLEYWPCGTQGDKRO-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.48
Rot. Bonds5

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

2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 61042316) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID61042316
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1Cl)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C14H14ClN3O2S/c15-14-13(4-2-8-17-14)21(19,20)18(12-5-6-12)10-11-3-1-7-16-9-11/h1-4,7-9,12H,5-6,10H2
InChIKeyLEYWPCGTQGDKRO-UHFFFAOYSA-N
XLogP2.48
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.48
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-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61047395
N-cyclopropyl-4-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 51204434
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24731464
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
1-N,4-N-dicyclopropyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 55564950
ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
CID 61045378
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 97204279
N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511974
2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide
CID 61215503
N-cyclopropyl-1-(oxan-4-yl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 71997817
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-sulfonamide
CID 60716041

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide (CID 61042316) is 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(c1cccnc1Cl)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is LEYWPCGTQGDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-14-13(4-2-8-17-14)21(19,20)18(12-5-6-12)10-11-3-1-7-16-9-11/h1-4,7-9,12H,5-6,10H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide?
2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 323.81 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61042316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).