N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide

C17H21ClN2O2S2 — CID 16887798

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C17H21ClN2O2S2/c18-16-6-7-17(23-16)24(21,22)19-12-14-8-10-20(11-9-14)13-15-4-2-1-3-5-15/h1-7,14,19H,8-13H2
InChIKeyPPIMQEUHLLXZAA-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.59
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 16887798) has the molecular formula C17H21ClN2O2S2 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
PubChem CID16887798
Molecular FormulaC17H21ClN2O2S2
Molecular Weight384.95 g/mol
Exact Mass384.07
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1
InChIInChI=1S/C17H21ClN2O2S2/c18-16-6-7-17(23-16)24(21,22)19-12-14-8-10-20(11-9-14)13-15-4-2-1-3-5-15/h1-7,14,19H,8-13H2
InChIKeyPPIMQEUHLLXZAA-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide (CID 16887798) is N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is PPIMQEUHLLXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S2/c18-16-6-7-17(23-16)24(21,22)19-12-14-8-10-20(11-9-14)13-15-4-2-1-3-5-15/h1-7,14,19H,8-13H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 384.95 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 16887798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).