N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide

C18H22N2O4S2 — CID 47784402

IUPACN-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCCCc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1
InChIInChI=1S/C18H22N2O4S2/c1-3-4-14-5-7-16(8-6-14)26(23,24)20-12-11-15-13-17(9-10-18(15)20)25(21,22)19-2/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyGTIJYXZENBCGEQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.30
Rot. Bonds6

About N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide

N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 47784402) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID47784402
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCCCc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1
InChIInChI=1S/C18H22N2O4S2/c1-3-4-14-5-7-16(8-6-14)26(23,24)20-12-11-15-13-17(9-10-18(15)20)25(21,22)19-2/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyGTIJYXZENBCGEQ-UHFFFAOYSA-N
XLogP2.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784415
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
1-(2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784424
1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784403
3-[4-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 24563287
1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 60586163
2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanamine
CID 14916960
N-methyl-1-[(3-nitrophenyl)methylsulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 71908716
1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 46382906
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
[2,3-dihydroindol-1-yl-oxo-(4-propylphenyl)-λ6-sulfanylidene]methanone
CID 91287638
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
CID 19164457

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (CID 47784402) is N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is CCCc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1.
What is the InChIKey of N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GTIJYXZENBCGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-3-4-14-5-7-16(8-6-14)26(23,24)20-12-11-15-13-17(9-10-18(15)20)25(21,22)19-2/h5-10,13,19H,3-4,11-12H2,1-2H3.
What are the key properties of N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 47784402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).