N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide

C21H23N3O5S — CID 19164419

IUPACN-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1c(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cccc1[N+](=O)[O-]
InChIInChI=1S/C21H23N3O5S/c1-14-18(7-4-8-19(14)24(26)27)21(25)23-12-11-15-13-17(9-10-20(15)23)30(28,29)22-16-5-2-3-6-16/h4,7-10,13,16,22H,2-3,5-6,11-12H2,1H3
InChIKeyOVFLPNFPDMJJBM-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.33
Rot. Bonds5

About N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide

N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 19164419) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID19164419
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1c(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cccc1[N+](=O)[O-]
InChIInChI=1S/C21H23N3O5S/c1-14-18(7-4-8-19(14)24(26)27)21(25)23-12-11-15-13-17(9-10-20(15)23)30(28,29)22-16-5-2-3-6-16/h4,7-10,13,16,22H,2-3,5-6,11-12H2,1H3
InChIKeyOVFLPNFPDMJJBM-UHFFFAOYSA-N
XLogP3.33
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164410
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 19164498
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-acetyl-2,3-dihydroindole-5-sulfonamide
CID 17487399
N-cyclopentyl-1-(2-propylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164449
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 108736405
4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864290
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-3-nitrobenzamide
CID 42423999

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide (CID 19164419) is N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide is Cc1c(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OVFLPNFPDMJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14-18(7-4-8-19(14)24(26)27)21(25)23-12-11-15-13-17(9-10-20(15)23)30(28,29)22-16-5-2-3-6-16/h4,7-10,13,16,22H,2-3,5-6,11-12H2,1H3.
What are the key properties of N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide?
N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 429.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 19164419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).