2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C25H23ClN4O4S — CID 135438380

IUPAC2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCCc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN4O4S/c1-2-5-17-8-14-20(15-9-17)35(33,34)30(19-12-10-18(26)11-13-19)16-23(31)28-29-24-21-6-3-4-7-22(21)27-25(24)32/h3-4,6-15,27,32H,2,5,16H2,1H3/b29-28+
InChIKeyUJBKIGXSTNBDNT-ZQHSETAFSA-N
MW511.00 g/mol
LogP5.99
Rot. Bonds8

About 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 135438380) has the molecular formula C25H23ClN4O4S and a molecular weight of 511.00 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID135438380
Molecular FormulaC25H23ClN4O4S
Molecular Weight511.00 g/mol
Exact Mass510.11
IUPAC Name2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCCc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN4O4S/c1-2-5-17-8-14-20(15-9-17)35(33,34)30(19-12-10-18(26)11-13-19)16-23(31)28-29-24-21-6-3-4-7-22(21)27-25(24)32/h3-4,6-15,27,32H,2,5,16H2,1H3/b29-28+
InChIKeyUJBKIGXSTNBDNT-ZQHSETAFSA-N
XLogP5.99
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.00
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 135438380) is 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CCCc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is UJBKIGXSTNBDNT-ZQHSETAFSA-N. The full InChI is InChI=1S/C25H23ClN4O4S/c1-2-5-17-8-14-20(15-9-17)35(33,34)30(19-12-10-18(26)11-13-19)16-23(31)28-29-24-21-6-3-4-7-22(21)27-25(24)32/h3-4,6-15,27,32H,2,5,16H2,1H3/b29-28+.
What are the key properties of 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 511.00 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-propylphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135438380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).