1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide

C14H17ClN2O2S2 — CID 71997362

IUPAC1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccc(Cl)nc1)Cc1cccs1
InChIInChI=1S/C14H17ClN2O2S2/c1-11(7-13-3-2-6-20-13)8-17-21(18,19)10-12-4-5-14(15)16-9-12/h2-6,9,11,17H,7-8,10H2,1H3
InChIKeyWLUKXISFJKWYIZ-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.09
Rot. Bonds7

About 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide

1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide (PubChem CID 71997362) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide
PubChem CID71997362
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccc(Cl)nc1)Cc1cccs1
InChIInChI=1S/C14H17ClN2O2S2/c1-11(7-13-3-2-6-20-13)8-17-21(18,19)10-12-4-5-14(15)16-9-12/h2-6,9,11,17H,7-8,10H2,1H3
InChIKeyWLUKXISFJKWYIZ-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3e,5s)-5-{3-Chloro-5-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]thiophen-2-Yl}-2,5-Dimethyl-1,2,4-Thiadiazinan-3-Imine 1,1-Dioxide
CID 68111516
(2,5-dichlorothiophen-3-yl)methyl N-(pyridin-3-ylmethyl)carbamodithioate
CID 2806068
trans-(1S,2R)-N-methyl-1-pyridin-3-yl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide
CID 10047940
5-chloro-N-(5-methylpyridin-2-yl)thiophene-2-sulfonamide
CID 3855039
5-chloro-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 2100180
5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 5310416
N1-methyl-N1-(3-pyridylmethyl)-2-[(4-chlorophenyl)sulfonyl]ethan-1-amine
CID 2820486
5-chloro-N-(2-pyridinylmethyl)-2-thiophenesulfonamide
CID 713290
5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-N,N-diethyl-2-thiophenesulfonamide
CID 1483828
5-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thiophenesulfonamide
CID 1486183
5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 2090986
5-chloro-N-[(pyridin-3-yl)methyl]thiophene-2-sulfonamide
CID 2104199

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide (CID 71997362) is 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide is CC(CNS(=O)(=O)Cc1ccc(Cl)nc1)Cc1cccs1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide?
The InChIKey is WLUKXISFJKWYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-11(7-13-3-2-6-20-13)8-17-21(18,19)10-12-4-5-14(15)16-9-12/h2-6,9,11,17H,7-8,10H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide?
1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide is sourced from PubChem (CID 71997362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).