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

C19H21ClN2O3S2 — CID 53156399

IUPACN-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CCC1)C2
InChIInChI=1S/C19H21ClN2O3S2/c1-12-15(20)6-3-7-16(12)21-27(24,25)18-10-14-11-22(9-8-17(14)26-18)19(23)13-4-2-5-13/h3,6-7,10,13,21H,2,4-5,8-9,11H2,1H3
InChIKeyFUBJUKFZPBVUNU-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.20
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156399) has the molecular formula C19H21ClN2O3S2 and a molecular weight of 424.98 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156399
Molecular FormulaC19H21ClN2O3S2
Molecular Weight424.98 g/mol
Exact Mass424.07
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CCC1)C2
InChIInChI=1S/C19H21ClN2O3S2/c1-12-15(20)6-3-7-16(12)21-27(24,25)18-10-14-11-22(9-8-17(14)26-18)19(23)13-4-2-5-13/h3,6-7,10,13,21H,2,4-5,8-9,11H2,1H3
InChIKeyFUBJUKFZPBVUNU-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156358
N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156374
5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156406
2-acetyl-N-(3-chloro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300854
5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156255
N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156292
5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156211
5-acetyl-N-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156241
N-(3-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99591307
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-methylthiophene-2-sulfonamide
CID 16944214
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzenesulfonamide
CID 31812524

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156399) is N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CCC1)C2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is FUBJUKFZPBVUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S2/c1-12-15(20)6-3-7-16(12)21-27(24,25)18-10-14-11-22(9-8-17(14)26-18)19(23)13-4-2-5-13/h3,6-7,10,13,21H,2,4-5,8-9,11H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 424.98 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).