1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C20H19ClN2O4S — CID 26769851

IUPAC1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1c(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)oc2c(Cl)cccc12
InChIInChI=1S/C20H19ClN2O4S/c1-12-15-5-4-6-16(21)19(15)27-18(12)20(24)23-10-9-13-11-14(7-8-17(13)23)28(25,26)22(2)3/h4-8,11H,9-10H2,1-3H3
InChIKeyFXURJDRKBIQZIG-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.85
Rot. Bonds3

About 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 26769851) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID26769851
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1c(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)oc2c(Cl)cccc12
InChIInChI=1S/C20H19ClN2O4S/c1-12-15-5-4-6-16(21)19(15)27-18(12)20(24)23-10-9-13-11-14(7-8-17(13)23)28(25,26)22(2)3/h4-8,11H,9-10H2,1-3H3
InChIKeyFXURJDRKBIQZIG-UHFFFAOYSA-N
XLogP3.85
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 39641255
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132663330
N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 26769678
1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43893462
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132667023
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 38107052

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 26769851) is 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is Cc1c(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)oc2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FXURJDRKBIQZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-12-15-5-4-6-16(21)19(15)27-18(12)20(24)23-10-9-13-11-14(7-8-17(13)23)28(25,26)22(2)3/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 418.90 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26769851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).