5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide

C25H29ClF3N5O5S — CID 167713202

IUPAC5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(CCCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(Cl)cc(C(F)(F)F)c4)CC3)ccc21)NO
InChIInChI=1S/C25H29ClF3N5O5S/c26-19-14-18(25(27,28)29)15-20(16-19)32-9-11-33(12-10-32)40(38,39)21-4-5-22-17(13-21)6-8-34(22)24(36)30-7-2-1-3-23(35)31-37/h4-5,13-16,37H,1-3,6-12H2,(H,30,36)(H,31,35)
InChIKeyKWCPEZUHMIKCPD-UHFFFAOYSA-N
MW604.05 g/mol
LogP3.62
Rot. Bonds8

About 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide

5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 167713202) has the molecular formula C25H29ClF3N5O5S and a molecular weight of 604.05 g/mol. Its IUPAC name is 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide
PubChem CID167713202
Molecular FormulaC25H29ClF3N5O5S
Molecular Weight604.05 g/mol
Exact Mass603.15
IUPAC Name5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(CCCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(Cl)cc(C(F)(F)F)c4)CC3)ccc21)NO
InChIInChI=1S/C25H29ClF3N5O5S/c26-19-14-18(25(27,28)29)15-20(16-19)32-9-11-33(12-10-32)40(38,39)21-4-5-22-17(13-21)6-8-34(22)24(36)30-7-2-1-3-23(35)31-37/h4-5,13-16,37H,1-3,6-12H2,(H,30,36)(H,31,35)
InChIKeyKWCPEZUHMIKCPD-UHFFFAOYSA-N
XLogP3.62
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.05
LogP ≤ 53.62
H-Bond Donors ≤ 53
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

JH-Lph-33
CID 145946109
5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide
CID 146680856
6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide
CID 167713149
5-[4-[3-Chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carbaldehyde
CID 168281485
N-{3-[4-(3-Chlorophenyl)piperazin-1-YL]-3-oxopropyl}-1-cyclopropanecarbonyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 16031737
US8623906, Jhe-02-032A
CID 44624048
US8623906, Jhe-01-137
CID 44624185
US8623906, Jhe-02-017C
CID 44624456
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 44624457
US8623906, Jhe-02-017A
CID 44624526
US8623906, Jhe-02-019A
CID 44624527
US8623906, Jhe-02-010A
CID 44624594

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide (CID 167713202) is 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide is O=C(CCCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(Cl)cc(C(F)(F)F)c4)CC3)ccc21)NO.
What is the InChIKey of 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is KWCPEZUHMIKCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF3N5O5S/c26-19-14-18(25(27,28)29)15-20(16-19)32-9-11-33(12-10-32)40(38,39)21-4-5-22-17(13-21)6-8-34(22)24(36)30-7-2-1-3-23(35)31-37/h4-5,13-16,37H,1-3,6-12H2,(H,30,36)(H,31,35).
What are the key properties of 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide?
5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 604.05 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 167713202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).