N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C20H19BrN4O4S — CID 135684409

IUPACN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19BrN4O4S/c21-16-4-5-19-18(11-16)15(12-22-19)13-23-24-20(26)14-2-1-3-17(10-14)30(27,28)25-6-8-29-9-7-25/h1-5,10-13,22H,6-9H2,(H,24,26)/b23-13+
InChIKeyHQIVTMSPZNZAFW-YDZHTSKRSA-N
MW491.37 g/mol
LogP2.72
Rot. Bonds5

About N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 135684409) has the molecular formula C20H19BrN4O4S and a molecular weight of 491.37 g/mol. Its IUPAC name is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID135684409
Molecular FormulaC20H19BrN4O4S
Molecular Weight491.37 g/mol
Exact Mass490.03
IUPAC NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19BrN4O4S/c21-16-4-5-19-18(11-16)15(12-22-19)13-23-24-20(26)14-2-1-3-17(10-14)30(27,28)25-6-8-29-9-7-25/h1-5,10-13,22H,6-9H2,(H,24,26)/b23-13+
InChIKeyHQIVTMSPZNZAFW-YDZHTSKRSA-N
XLogP2.72
TPSA103.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 2641960
1-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 136773543
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
N-[(E)-(4-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907579
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135755129
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2325280
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589638
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135460515
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4152229
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 135684409) is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HQIVTMSPZNZAFW-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H19BrN4O4S/c21-16-4-5-19-18(11-16)15(12-22-19)13-23-24-20(26)14-2-1-3-17(10-14)30(27,28)25-6-8-29-9-7-25/h1-5,10-13,22H,6-9H2,(H,24,26)/b23-13+.
What are the key properties of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 491.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 135684409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).