4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide

C15H17ClN2O4S3 — CID 35407559

IUPAC4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O4S3/c16-12-3-6-14(7-4-12)24(19,20)17-11-13-5-8-15(23-13)25(21,22)18-9-1-2-10-18/h3-8,17H,1-2,9-11H2
InChIKeySYMHZOVEQRAZBT-UHFFFAOYSA-N
MW420.97 g/mol
LogP2.66
Rot. Bonds6

About 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide

4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 35407559) has the molecular formula C15H17ClN2O4S3 and a molecular weight of 420.97 g/mol. Its IUPAC name is 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID35407559
Molecular FormulaC15H17ClN2O4S3
Molecular Weight420.97 g/mol
Exact Mass420.00
IUPAC Name4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O4S3/c16-12-3-6-14(7-4-12)24(19,20)17-11-13-5-8-15(23-13)25(21,22)18-9-1-2-10-18/h3-8,17H,1-2,9-11H2
InChIKeySYMHZOVEQRAZBT-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide (CID 35407559) is 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is SYMHZOVEQRAZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S3/c16-12-3-6-14(7-4-12)24(19,20)17-11-13-5-8-15(23-13)25(21,22)18-9-1-2-10-18/h3-8,17H,1-2,9-11H2.
What are the key properties of 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide?
4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 420.97 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 35407559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).