N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide

C19H19N3O5S — CID 142745825

IUPACN-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide
SMILESCC(C)(C)C(=O)n1ccc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c21
InChIInChI=1S/C19H19N3O5S/c1-19(2,3)18(23)21-12-11-13-5-4-6-16(17(13)21)20-28(26,27)15-9-7-14(8-10-15)22(24)25/h4-12,20H,1-3H3
InChIKeyQLEBIFQVZJDSPV-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide

N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide (PubChem CID 142745825) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide
PubChem CID142745825
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide
SMILESCC(C)(C)C(=O)n1ccc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c21
InChIInChI=1S/C19H19N3O5S/c1-19(2,3)18(23)21-12-11-13-5-4-6-16(17(13)21)20-28(26,27)15-9-7-14(8-10-15)22(24)25/h4-12,20H,1-3H3
InChIKeyQLEBIFQVZJDSPV-UHFFFAOYSA-N
XLogP4.04
TPSA111.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide
CID 142745815
N-[5-bromo-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
CID 132528764
N-[1-(2,2-dimethylpropanoyl)-4-methylindol-7-yl]-4-methylbenzenesulfonamide
CID 132528756
N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
CID 142745813
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011
2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide
CID 75524313
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
ethyl 2-[1-(2,2-dimethylpropanoyl)-7-[(4-methylphenyl)sulfonylamino]indol-3-yl]acetate
CID 132528762
(2S)-3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid
CID 61142393

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide (CID 142745825) is N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide is CC(C)(C)C(=O)n1ccc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c21.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide?
The InChIKey is QLEBIFQVZJDSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-19(2,3)18(23)21-12-11-13-5-4-6-16(17(13)21)20-28(26,27)15-9-7-14(8-10-15)22(24)25/h4-12,20H,1-3H3.
What are the key properties of N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide?
N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)indol-7-yl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 142745825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).