N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C18H19ClN2O3S2 — CID 53156374

IUPACN-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESO=C(C1CC1)N1CCc2sc(S(=O)(=O)NCc3cccc(Cl)c3)cc2C1
InChIInChI=1S/C18H19ClN2O3S2/c19-15-3-1-2-12(8-15)10-20-26(23,24)17-9-14-11-21(7-6-16(14)25-17)18(22)13-4-5-13/h1-3,8-9,13,20H,4-7,10-11H2
InChIKeyGVCXWGCCQVIMLO-UHFFFAOYSA-N
MW410.95 g/mol
LogP3.17
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156374) has the molecular formula C18H19ClN2O3S2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156374
Molecular FormulaC18H19ClN2O3S2
Molecular Weight410.95 g/mol
Exact Mass410.05
IUPAC NameN-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESO=C(C1CC1)N1CCc2sc(S(=O)(=O)NCc3cccc(Cl)c3)cc2C1
InChIInChI=1S/C18H19ClN2O3S2/c19-15-3-1-2-12(8-15)10-20-26(23,24)17-9-14-11-21(7-6-16(14)25-17)18(22)13-4-5-13/h1-3,8-9,13,20H,4-7,10-11H2
InChIKeyGVCXWGCCQVIMLO-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156406
N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156358
N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156399
1-(3-chlorophenyl)-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
CID 16944254
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156283
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
5-acetyl-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 166242221
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3S)-oxolan-3-yl]methanone
CID 129348966
(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone
CID 126853103
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156374) is N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is O=C(C1CC1)N1CCc2sc(S(=O)(=O)NCc3cccc(Cl)c3)cc2C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is GVCXWGCCQVIMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S2/c19-15-3-1-2-12(8-15)10-20-26(23,24)17-9-14-11-21(7-6-16(14)25-17)18(22)13-4-5-13/h1-3,8-9,13,20H,4-7,10-11H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 410.95 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).