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

C17H15ClN2O2S2 — CID 121177917

IUPAC5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C17H15ClN2O2S2/c1-12-4-5-15(18)9-16(12)24(21,22)20-10-13-3-2-7-19-17(13)14-6-8-23-11-14/h2-9,11,20H,10H2,1H3
InChIKeyBXMUKJIZYWRNJP-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide

5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121177917) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID121177917
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C17H15ClN2O2S2/c1-12-4-5-15(18)9-16(12)24(21,22)20-10-13-3-2-7-19-17(13)14-6-8-23-11-14/h2-9,11,20H,10H2,1H3
InChIKeyBXMUKJIZYWRNJP-UHFFFAOYSA-N
XLogP4.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277039
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177877
2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177958
1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 121177976
3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 121177946
2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121177892
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177965
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177686
3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277014
5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 53148365

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 121177917) is 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1-c1ccsc1.
What is the InChIKey of 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is BXMUKJIZYWRNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c1-12-4-5-15(18)9-16(12)24(21,22)20-10-13-3-2-7-19-17(13)14-6-8-23-11-14/h2-9,11,20H,10H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 378.91 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121177917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).