N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide

C19H20N2O3S — CID 6621773

IUPACN-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O3S/c22-19(15-6-7-15)21-11-10-16-12-17(8-9-18(16)21)25(23,24)20-13-14-4-2-1-3-5-14/h1-5,8-9,12,15,20H,6-7,10-11,13H2
InChIKeyCEHSNIOOWQCPFO-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.46
Rot. Bonds5

About N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide

N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 6621773) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID6621773
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O3S/c22-19(15-6-7-15)21-11-10-16-12-17(8-9-18(16)21)25(23,24)20-13-14-4-2-1-3-5-14/h1-5,8-9,12,15,20H,6-7,10-11,13H2
InChIKeyCEHSNIOOWQCPFO-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 100610018
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853285
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853293
1-(cyclopropanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 15996296
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 46361239
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide (CID 6621773) is N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide is O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CEHSNIOOWQCPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19(15-6-7-15)21-11-10-16-12-17(8-9-18(16)21)25(23,24)20-13-14-4-2-1-3-5-14/h1-5,8-9,12,15,20H,6-7,10-11,13H2.
What are the key properties of N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 6621773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).