2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide

C11H11ClN2O2S2 — CID 78997965

IUPAC2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
SMILESCc1ccsc1CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H11ClN2O2S2/c1-8-4-6-17-9(8)7-14-18(15,16)10-3-2-5-13-11(10)12/h2-6,14H,7H2,1H3
InChIKeyJUXXXMOWQOOZKC-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide

2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 78997965) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID78997965
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
SMILESCc1ccsc1CNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H11ClN2O2S2/c1-8-4-6-17-9(8)7-14-18(15,16)10-3-2-5-13-11(10)12/h2-6,14H,7H2,1H3
InChIKeyJUXXXMOWQOOZKC-UHFFFAOYSA-N
XLogP2.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.58
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

N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide
CID 103306549
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 115614207
N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 2811533
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
3-amino-N-[(3-methylthiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 115993741
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 79471456
3-[(3-ethylthiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597606
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide
CID 80527113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide (CID 78997965) is 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide is Cc1ccsc1CNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is JUXXXMOWQOOZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-8-4-6-17-9(8)7-14-18(15,16)10-3-2-5-13-11(10)12/h2-6,14H,7H2,1H3.
What are the key properties of 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide?
2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 302.81 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 78997965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).