N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide

C15H15ClN2O4S2 — CID 4093593

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccs1
InChIInChI=1S/C15H15ClN2O4S2/c16-12-4-3-11(17-15(19)13-2-1-9-23-13)10-14(12)24(20,21)18-5-7-22-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyBWGYTLOCJFGWHT-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.67
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 4093593) has the molecular formula C15H15ClN2O4S2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID4093593
Molecular FormulaC15H15ClN2O4S2
Molecular Weight386.88 g/mol
Exact Mass386.02
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccs1
InChIInChI=1S/C15H15ClN2O4S2/c16-12-4-3-11(17-15(19)13-2-1-9-23-13)10-14(12)24(20,21)18-5-7-22-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyBWGYTLOCJFGWHT-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide (CID 4093593) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccs1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is BWGYTLOCJFGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S2/c16-12-4-3-11(17-15(19)13-2-1-9-23-13)10-14(12)24(20,21)18-5-7-22-8-6-18/h1-4,9-10H,5-8H2,(H,17,19).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4093593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).