5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C16H13ClN2O2S2 — CID 110360283

IUPAC5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C16H13ClN2O2S2/c17-15-8-9-16(22-15)23(20,21)19(14-6-2-1-3-7-14)12-13-5-4-10-18-11-13/h1-11H,12H2
InChIKeyYMVUQKLIJKBJIJ-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 110360283) has the molecular formula C16H13ClN2O2S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID110360283
Molecular FormulaC16H13ClN2O2S2
Molecular Weight364.88 g/mol
Exact Mass364.01
IUPAC Name5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C16H13ClN2O2S2/c17-15-8-9-16(22-15)23(20,21)19(14-6-2-1-3-7-14)12-13-5-4-10-18-11-13/h1-11H,12H2
InChIKeyYMVUQKLIJKBJIJ-UHFFFAOYSA-N
XLogP4.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360280
5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360863
2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
CID 52708261
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521664
N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581
3-pyridin-3-ylpropyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 78772421
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 75388898
N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 110360283) is 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1ccc(Cl)s1)N(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is YMVUQKLIJKBJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S2/c17-15-8-9-16(22-15)23(20,21)19(14-6-2-1-3-7-14)12-13-5-4-10-18-11-13/h1-11H,12H2.
What are the key properties of 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 364.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110360283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).