4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide

C16H13ClN2O2S2 — CID 121177942

IUPAC4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1ccsc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2S2/c17-14-3-5-15(6-4-14)23(20,21)19-10-12-2-1-8-18-16(12)13-7-9-22-11-13/h1-9,11,19H,10H2
InChIKeySLCXEDMCULZSII-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.94
Rot. Bonds5

About 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide

4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121177942) has the molecular formula C16H13ClN2O2S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID121177942
Molecular FormulaC16H13ClN2O2S2
Molecular Weight364.88 g/mol
Exact Mass364.01
IUPAC Name4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1ccsc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2S2/c17-14-3-5-15(6-4-14)23(20,21)19-10-12-2-1-8-18-16(12)13-7-9-22-11-13/h1-9,11,19H,10H2
InChIKeySLCXEDMCULZSII-UHFFFAOYSA-N
XLogP3.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177917
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177877
3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 121177946
2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177958
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177686
2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121177892
1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 121177976
1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177965
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148390
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 121177942) is 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccnc1-c1ccsc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is SLCXEDMCULZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S2/c17-14-3-5-15(6-4-14)23(20,21)19-10-12-2-1-8-18-16(12)13-7-9-22-11-13/h1-9,11,19H,10H2.
What are the key properties of 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 364.88 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121177942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).