1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol

C19H19N5O6S — CID 135898860

IUPAC1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol
SMILESCn1c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C19H19N5O6S/c1-22-16-5-3-2-4-14(16)18(19(22)25)21-20-15-7-6-13(12-17(15)24(26)27)31(28,29)23-8-10-30-11-9-23/h2-7,12,25H,8-11H2,1H3/b21-20+
InChIKeyXSMPEZQWBCQJLV-QZQOTICOSA-N
MW445.46 g/mol
LogP3.23
Rot. Bonds5

About 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol

1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol (PubChem CID 135898860) has the molecular formula C19H19N5O6S and a molecular weight of 445.46 g/mol. Its IUPAC name is 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol
PubChem CID135898860
Molecular FormulaC19H19N5O6S
Molecular Weight445.46 g/mol
Exact Mass445.11
IUPAC Name1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol
SMILESCn1c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C19H19N5O6S/c1-22-16-5-3-2-4-14(16)18(19(22)25)21-20-15-7-6-13(12-17(15)24(26)27)31(28,29)23-8-10-30-11-9-23/h2-7,12,25H,8-11H2,1H3/b21-20+
InChIKeyXSMPEZQWBCQJLV-QZQOTICOSA-N
XLogP3.23
TPSA139.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol
CID 4664439
N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2352943
1-methyl-3-[[4-nitro-2-(4-phenylpiperidin-1-yl)sulfonylphenyl]diazenyl]indol-2-ol
CID 136766812
4-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3252841
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]phenol
CID 4811270
4-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-3-nitrobenzenesulfonamide
CID 5009056
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118
4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
2-nitro-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62967617
4-(3-nitro-4-phenylsulfanylphenyl)sulfonylmorpholine
CID 4811406
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol?
The IUPAC name of 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol (CID 135898860) is 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol.
What is the SMILES notation for 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol?
The canonical SMILES for 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol is Cn1c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c2ccccc21.
What is the InChIKey of 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol?
The InChIKey is XSMPEZQWBCQJLV-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N5O6S/c1-22-16-5-3-2-4-14(16)18(19(22)25)21-20-15-7-6-13(12-17(15)24(26)27)31(28,29)23-8-10-30-11-9-23/h2-7,12,25H,8-11H2,1H3/b21-20+.
What are the key properties of 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol?
1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol has a molecular weight of 445.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol is sourced from PubChem (CID 135898860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).