2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide

C19H21N3O5S — CID 2883874

IUPAC2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide
SMILESO=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C19H21N3O5S/c23-19(20-15-6-4-5-7-15)14-21(16-10-12-17(13-11-16)22(24)25)28(26,27)18-8-2-1-3-9-18/h1-3,8-13,15H,4-7,14H2,(H,20,23)
InChIKeyMQDBWJHMWDUZCE-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.85
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide

2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide (PubChem CID 2883874) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide
PubChem CID2883874
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide
SMILESO=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C19H21N3O5S/c23-19(20-15-6-4-5-7-15)14-21(16-10-12-17(13-11-16)22(24)25)28(26,27)18-8-2-1-3-9-18/h1-3,8-13,15H,4-7,14H2,(H,20,23)
InChIKeyMQDBWJHMWDUZCE-UHFFFAOYSA-N
XLogP2.85
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.85
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

2-[N-(benzenesulfonyl)-3-nitroanilino]-N-cyclohexylacetamide
CID 1106221
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2982325
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-cyclopropylacetamide
CID 126034868
(2S)-2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100524521
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-cycloheptylacetamide
CID 1320768
(2R)-2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 125058587
2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132634573

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide (CID 2883874) is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide is O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC1CCCC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide?
The InChIKey is MQDBWJHMWDUZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-19(20-15-6-4-5-7-15)14-21(16-10-12-17(13-11-16)22(24)25)28(26,27)18-8-2-1-3-9-18/h1-3,8-13,15H,4-7,14H2,(H,20,23).
What are the key properties of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide?
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide has a molecular weight of 403.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide is sourced from PubChem (CID 2883874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).