3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide

C20H25N4O3S+ — CID 9204709

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
SMILESC[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C20H24N4O3S/c1-22-11-13-23(14-12-22)21-20(25)17-6-4-7-18(15-17)28(26,27)24-10-9-16-5-2-3-8-19(16)24/h2-8,15H,9-14H2,1H3,(H,21,25)/p+1
InChIKeyWXNVNFMRVAROFH-UHFFFAOYSA-O
MW401.51 g/mol
LogP-0.09
Rot. Bonds4

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide (PubChem CID 9204709) has the molecular formula C20H25N4O3S+ and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
PubChem CID9204709
Molecular FormulaC20H25N4O3S+
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
SMILESC[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C20H24N4O3S/c1-22-11-13-23(14-12-22)21-20(25)17-6-4-7-18(15-17)28(26,27)24-10-9-16-5-2-3-8-19(16)24/h2-8,15H,9-14H2,1H3,(H,21,25)/p+1
InChIKeyWXNVNFMRVAROFH-UHFFFAOYSA-O
XLogP-0.09
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 7924074
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(N-propan-2-ylanilino)phenyl]benzamide
CID 2509035
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17410337
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
methyl (2R)-2-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-3-hydroxypropanoate
CID 9277502

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide (CID 9204709) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide is C[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide?
The InChIKey is WXNVNFMRVAROFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N4O3S/c1-22-11-13-23(14-12-22)21-20(25)17-6-4-7-18(15-17)28(26,27)24-10-9-16-5-2-3-8-19(16)24/h2-8,15H,9-14H2,1H3,(H,21,25)/p+1.
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide has a molecular weight of 401.51 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide is sourced from PubChem (CID 9204709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).