3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide

C19H20ClN5O4S — CID 135971696

IUPAC3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCN1CCOCC1)c1ccc2[nH]c(O)c(/N=N/c3ccccc3Cl)c2c1
InChIInChI=1S/C19H20ClN5O4S/c20-15-3-1-2-4-17(15)23-24-18-14-11-13(5-6-16(14)22-19(18)26)30(27,28)21-12-25-7-9-29-10-8-25/h1-6,11,21-22,26H,7-10,12H2/b24-23+
InChIKeyWJLDLACQCPFVOO-WCWDXBQESA-N
MW449.92 g/mol
LogP3.51
Rot. Bonds6

About 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide

3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide (PubChem CID 135971696) has the molecular formula C19H20ClN5O4S and a molecular weight of 449.92 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide
PubChem CID135971696
Molecular FormulaC19H20ClN5O4S
Molecular Weight449.92 g/mol
Exact Mass449.09
IUPAC Name3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCN1CCOCC1)c1ccc2[nH]c(O)c(/N=N/c3ccccc3Cl)c2c1
InChIInChI=1S/C19H20ClN5O4S/c20-15-3-1-2-4-17(15)23-24-18-14-11-13(5-6-16(14)22-19(18)26)30(27,28)21-12-25-7-9-29-10-8-25/h1-6,11,21-22,26H,7-10,12H2/b24-23+
InChIKeyWJLDLACQCPFVOO-WCWDXBQESA-N
XLogP3.51
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
CID 135971735
3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol
CID 4664439
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ylacetamide;hydrochloride
CID 135770325
5-chloro-3-[(2,3-dichlorophenyl)diazenyl]-1H-indol-2-ol
CID 136867697
6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 53380419
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 91819596
3-[[2-(benzenesulfonyl)phenyl]diazenyl]-2-phenyl-1H-indole-5-sulfonic acid
CID 135856088
CID 137235039
CID 137235039
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 135733362
3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol
CID 137172473

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide (CID 135971696) is 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide is O=S(=O)(NCN1CCOCC1)c1ccc2[nH]c(O)c(/N=N/c3ccccc3Cl)c2c1.
What is the InChIKey of 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide?
The InChIKey is WJLDLACQCPFVOO-WCWDXBQESA-N. The full InChI is InChI=1S/C19H20ClN5O4S/c20-15-3-1-2-4-17(15)23-24-18-14-11-13(5-6-16(14)22-19(18)26)30(27,28)21-12-25-7-9-29-10-8-25/h1-6,11,21-22,26H,7-10,12H2/b24-23+.
What are the key properties of 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide?
3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide has a molecular weight of 449.92 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 135971696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).