N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide

C11H11ClN2O2S2 — CID 104821321

IUPACN-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)n2)c(C)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-7-6-9(8(2)17-7)18(15,16)14-11-5-3-4-10(12)13-11/h3-6H,1-2H3,(H,13,14)
InChIKeyBTVVPOSEFUEFGG-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.21
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide

N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 104821321) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID104821321
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC NameN-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)n2)c(C)s1
InChIInChI=1S/C11H11ClN2O2S2/c1-7-6-9(8(2)17-7)18(15,16)14-11-5-3-4-10(12)13-11/h3-6H,1-2H3,(H,13,14)
InChIKeyBTVVPOSEFUEFGG-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.21
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-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113456965
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 104821325
N-(6-chloro-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 104821362
N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821363
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide
CID 104821384
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 103051902
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide (CID 104821321) is N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(Cl)n2)c(C)s1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is BTVVPOSEFUEFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-7-6-9(8(2)17-7)18(15,16)14-11-5-3-4-10(12)13-11/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 302.81 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 104821321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).