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

C18H19ClN2O4S2 — CID 53156358

IUPACN-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C18H19ClN2O4S2/c1-25-15-5-4-13(19)9-14(15)20-27(23,24)17-8-12-10-21(7-6-16(12)26-17)18(22)11-2-3-11/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3
InChIKeyYKAQOZINMKSOAV-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.51
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156358) has the molecular formula C18H19ClN2O4S2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156358
Molecular FormulaC18H19ClN2O4S2
Molecular Weight426.95 g/mol
Exact Mass426.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C18H19ClN2O4S2/c1-25-15-5-4-13(19)9-14(15)20-27(23,24)17-8-12-10-21(7-6-16(12)26-17)18(22)11-2-3-11/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3
InChIKeyYKAQOZINMKSOAV-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156338
N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156399
N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156374
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
3-chloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methoxybenzenesulfonamide
CID 16944237
N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156292
5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156406
N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156309
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235705
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-methylthiophene-2-sulfonamide
CID 16944214
ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 26591578
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156358) is N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is YKAQOZINMKSOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S2/c1-25-15-5-4-13(19)9-14(15)20-27(23,24)17-8-12-10-21(7-6-16(12)26-17)18(22)11-2-3-11/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 426.95 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).