N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide

C19H19N5O6S — CID 157028371

IUPACN'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1)c1cccc2[nH]ccc12
InChIInChI=1S/C19H19N5O6S/c25-19(15-2-1-3-16-14(15)6-7-20-16)21-22-31(28,29)13-4-5-17(24(26)27)18(12-13)23-8-10-30-11-9-23/h1-7,12,20,22H,8-11H2,(H,21,25)
InChIKeyWMAAXDBIZQVJDU-UHFFFAOYSA-N
MW445.46 g/mol
LogP1.54
Rot. Bonds6

About N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide

N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide (PubChem CID 157028371) has the molecular formula C19H19N5O6S and a molecular weight of 445.46 g/mol. Its IUPAC name is N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide
PubChem CID157028371
Molecular FormulaC19H19N5O6S
Molecular Weight445.46 g/mol
Exact Mass445.11
IUPAC NameN'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1)c1cccc2[nH]ccc12
InChIInChI=1S/C19H19N5O6S/c25-19(15-2-1-3-16-14(15)6-7-20-16)21-22-31(28,29)13-4-5-17(24(26)27)18(12-13)23-8-10-30-11-9-23/h1-7,12,20,22H,8-11H2,(H,21,25)
InChIKeyWMAAXDBIZQVJDU-UHFFFAOYSA-N
XLogP1.54
TPSA146.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-4-yloxy)-N-[4-[(4-morpholin-4-ylcyclohexyl)amino]-3-nitrophenyl]sulfonylbenzamide
CID 68635350
5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
CID 54858952
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
N-(4-methoxy-3-nitrophenyl)-1H-indole-4-carboxamide
CID 86787175
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
2-(1H-indol-4-yloxy)-N-[4-[(1-methylpiperidin-4-yl)amino]-3-nitrophenyl]sulfonylbenzamide
CID 67433263
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 18291350
N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17117691

Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide?
The IUPAC name of N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide (CID 157028371) is N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide.
What is the SMILES notation for N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide?
The canonical SMILES for N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1)c1cccc2[nH]ccc12.
What is the InChIKey of N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide?
The InChIKey is WMAAXDBIZQVJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O6S/c25-19(15-2-1-3-16-14(15)6-7-20-16)21-22-31(28,29)13-4-5-17(24(26)27)18(12-13)23-8-10-30-11-9-23/h1-7,12,20,22H,8-11H2,(H,21,25).
What are the key properties of N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide?
N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide has a molecular weight of 445.46 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-yl-4-nitrophenyl)sulfonyl-1H-indole-4-carbohydrazide is sourced from PubChem (CID 157028371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).