6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide

C22H31FN4O4S — CID 87721429

IUPAC6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
SMILESCc1cc(NC(CCCCNS(=O)(=O)c2ccc(N(C)C)cc2)C(=O)NO)cc(C)c1F
InChIInChI=1S/C22H31FN4O4S/c1-15-13-17(14-16(2)21(15)23)25-20(22(28)26-29)7-5-6-12-24-32(30,31)19-10-8-18(9-11-19)27(3)4/h8-11,13-14,20,24-25,29H,5-7,12H2,1-4H3,(H,26,28)
InChIKeyZEKYWCZDXALZRW-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.94
Rot. Bonds11

About 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide

6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide (PubChem CID 87721429) has the molecular formula C22H31FN4O4S and a molecular weight of 466.58 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
PubChem CID87721429
Molecular FormulaC22H31FN4O4S
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
SMILESCc1cc(NC(CCCCNS(=O)(=O)c2ccc(N(C)C)cc2)C(=O)NO)cc(C)c1F
InChIInChI=1S/C22H31FN4O4S/c1-15-13-17(14-16(2)21(15)23)25-20(22(28)26-29)7-5-6-12-24-32(30,31)19-10-8-18(9-11-19)27(3)4/h8-11,13-14,20,24-25,29H,5-7,12H2,1-4H3,(H,26,28)
InChIKeyZEKYWCZDXALZRW-UHFFFAOYSA-N
XLogP2.94
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(4-fluoro-3,5-dimethylanilino)-6-(hydroxyamino)-6-oxohexyl]sulfamoyl]benzoic acid
CID 87720879
(2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
CID 88537074
benzyl N-[5-(4-fluoro-3,5-dimethylanilino)-6-(hydroxyamino)-6-oxohexyl]carbamate
CID 87720869
(2R)-6-[[(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropyl]amino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
CID 139495508
(2S)-2-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]hexanoic acid
CID 101250685
N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 16890857
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide
CID 87895135
2-(3-fluoro-2,4-dimethylanilino)-N-hydroxyhexanamide
CID 87721438
methyl 6-amino-2-(4-fluoro-3,5-dimethylanilino)hexanoate
CID 69169743
(2S)-2,6-bis[(4-bromophenyl)sulfonylamino]hexanoic acid
CID 86604364
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The IUPAC name of 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide (CID 87721429) is 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The canonical SMILES for 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide is Cc1cc(NC(CCCCNS(=O)(=O)c2ccc(N(C)C)cc2)C(=O)NO)cc(C)c1F.
What is the InChIKey of 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The InChIKey is ZEKYWCZDXALZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O4S/c1-15-13-17(14-16(2)21(15)23)25-20(22(28)26-29)7-5-6-12-24-32(30,31)19-10-8-18(9-11-19)27(3)4/h8-11,13-14,20,24-25,29H,5-7,12H2,1-4H3,(H,26,28).
What are the key properties of 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide has a molecular weight of 466.58 g/mol, XLogP of 2.94, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)phenyl]sulfonylamino]-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide is sourced from PubChem (CID 87721429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).