4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide

C16H17ClN2O3S2 — CID 122162020

IUPAC4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sc(Cl)cc3C2)cc1
InChIInChI=1S/C16H17ClN2O3S2/c1-18(2)24(21,22)13-5-3-11(4-6-13)16(20)19-8-7-14-12(10-19)9-15(17)23-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyWNWMWNNJUIBGPC-UHFFFAOYSA-N
MW384.91 g/mol
LogP2.85
Rot. Bonds3

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

4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 122162020) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID122162020
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sc(Cl)cc3C2)cc1
InChIInChI=1S/C16H17ClN2O3S2/c1-18(2)24(21,22)13-5-3-11(4-6-13)16(20)19-8-7-14-12(10-19)9-15(17)23-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyWNWMWNNJUIBGPC-UHFFFAOYSA-N
XLogP2.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide with MolForge

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Related Compounds

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 1428300
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
2-(3,4-difluorobenzoyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644403
methyl 4-[(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoate
CID 126853476
5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369272
1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 122245114
1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 122162030
3-(benzenesulfonyl)-1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 122162017
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158992
1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methylsulfonylimidazolidin-2-one
CID 122162035
4-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-methylbenzenesulfonamide
CID 2228314

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide (CID 122162020) is 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sc(Cl)cc3C2)cc1.
What is the InChIKey of 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is WNWMWNNJUIBGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-18(2)24(21,22)13-5-3-11(4-6-13)16(20)19-8-7-14-12(10-19)9-15(17)23-14/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide?
4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 384.91 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 122162020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).