4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C18H23ClN2O3S2 — CID 4048750

IUPAC4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C18H23ClN2O3S2/c19-16-4-6-18(7-5-16)26(22,23)21(15-17-3-1-14-25-17)9-2-8-20-10-12-24-13-11-20/h1,3-7,14H,2,8-13,15H2
InChIKeyRDOGBTPYAVNWJF-UHFFFAOYSA-N
MW414.98 g/mol
LogP3.31
Rot. Bonds8

About 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 4048750) has the molecular formula C18H23ClN2O3S2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID4048750
Molecular FormulaC18H23ClN2O3S2
Molecular Weight414.98 g/mol
Exact Mass414.08
IUPAC Name4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C18H23ClN2O3S2/c19-16-4-6-18(7-5-16)26(22,23)21(15-17-3-1-14-25-17)9-2-8-20-10-12-24-13-11-20/h1,3-7,14H,2,8-13,15H2
InChIKeyRDOGBTPYAVNWJF-UHFFFAOYSA-N
XLogP3.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 4048750) is 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1.
What is the InChIKey of 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is RDOGBTPYAVNWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3S2/c19-16-4-6-18(7-5-16)26(22,23)21(15-17-3-1-14-25-17)9-2-8-20-10-12-24-13-11-20/h1,3-7,14H,2,8-13,15H2.
What are the key properties of 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 414.98 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4048750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).