5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide

C19H23ClN2O3S2 — CID 53103808

IUPAC5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C19H23ClN2O3S2/c1-14-2-4-16(5-3-14)19(23)22-12-9-15(10-13-22)8-11-21-27(24,25)18-7-6-17(20)26-18/h2-7,15,21H,8-13H2,1H3
InChIKeyMAVFTBSJGVWFEK-UHFFFAOYSA-N
MW426.99 g/mol
LogP3.93
Rot. Bonds6

About 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 53103808) has the molecular formula C19H23ClN2O3S2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
PubChem CID53103808
Molecular FormulaC19H23ClN2O3S2
Molecular Weight426.99 g/mol
Exact Mass426.08
IUPAC Name5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C19H23ClN2O3S2/c1-14-2-4-16(5-3-14)19(23)22-12-9-15(10-13-22)8-11-21-27(24,25)18-7-6-17(20)26-18/h2-7,15,21H,8-13H2,1H3
InChIKeyMAVFTBSJGVWFEK-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide (CID 53103808) is 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide is Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1.
What is the InChIKey of 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is MAVFTBSJGVWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S2/c1-14-2-4-16(5-3-14)19(23)22-12-9-15(10-13-22)8-11-21-27(24,25)18-7-6-17(20)26-18/h2-7,15,21H,8-13H2,1H3.
What are the key properties of 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 426.99 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53103808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).