5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide

C15H15ClN2O5S2 — CID 124877371

IUPAC5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)sc1S(N)(=O)=O
InChIInChI=1S/C15H15ClN2O5S2/c1-18(7-9-8-22-11-4-2-3-5-12(11)23-9)14(19)10-6-13(16)24-15(10)25(17,20)21/h2-6,9H,7-8H2,1H3,(H2,17,20,21)/t9-/m1/s1
InChIKeyHZVLYSRIDAMIPY-SECBINFHSA-N
MW402.88 g/mol
LogP1.96
Rot. Bonds4

About 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide

5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide (PubChem CID 124877371) has the molecular formula C15H15ClN2O5S2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide
PubChem CID124877371
Molecular FormulaC15H15ClN2O5S2
Molecular Weight402.88 g/mol
Exact Mass402.01
IUPAC Name5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)sc1S(N)(=O)=O
InChIInChI=1S/C15H15ClN2O5S2/c1-18(7-9-8-22-11-4-2-3-5-12(11)23-9)14(19)10-6-13(16)24-15(10)25(17,20)21/h2-6,9H,7-8H2,1H3,(H2,17,20,21)/t9-/m1/s1
InChIKeyHZVLYSRIDAMIPY-SECBINFHSA-N
XLogP1.96
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-hydroxy-N-methylbenzamide
CID 93239747
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
2,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 55329965
4,5-dibromo-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylthiophene-2-carboxamide
CID 51716440
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 112792039
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 45352565
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-difluoro-N-methylbenzamide
CID 51144824
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
5-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylfuran-2-carboxamide
CID 31984678
4-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-nitrobenzamide
CID 51873110
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-iodo-N-methylbenzamide
CID 112791992

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide?
The IUPAC name of 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide (CID 124877371) is 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide is CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)sc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide?
The InChIKey is HZVLYSRIDAMIPY-SECBINFHSA-N. The full InChI is InChI=1S/C15H15ClN2O5S2/c1-18(7-9-8-22-11-4-2-3-5-12(11)23-9)14(19)10-6-13(16)24-15(10)25(17,20)21/h2-6,9H,7-8H2,1H3,(H2,17,20,21)/t9-/m1/s1.
What are the key properties of 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide?
5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 124877371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).