5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide

C16H19ClN2O2S2 — CID 22205412

IUPAC5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H19ClN2O2S2/c17-15-8-9-16(22-15)23(20,21)18-14-6-4-13(5-7-14)12-19-10-2-1-3-11-19/h4-9,18H,1-3,10-12H2
InChIKeyTVWJXDXKYYQLAZ-UHFFFAOYSA-N
MW370.93 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 22205412) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
PubChem CID22205412
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H19ClN2O2S2/c17-15-8-9-16(22-15)23(20,21)18-14-6-4-13(5-7-14)12-19-10-2-1-3-11-19/h4-9,18H,1-3,10-12H2
InChIKeyTVWJXDXKYYQLAZ-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329
5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
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5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide
CID 110666773
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
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5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 5217515
5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-sulfonamide
CID 35548201
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2337129
5-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636296
1-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]-N-ethylcyclobutane-1-carboxamide
CID 46384149
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide (CID 22205412) is 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is TVWJXDXKYYQLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c17-15-8-9-16(22-15)23(20,21)18-14-6-4-13(5-7-14)12-19-10-2-1-3-11-19/h4-9,18H,1-3,10-12H2.
What are the key properties of 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 370.93 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22205412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).