N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C22H23N5O4S — CID 136755725

IUPACN-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N5O4S/c28-21(26-25-14-17-13-23-20-6-2-1-5-19(17)20)15-24-22(29)16-7-9-18(10-8-16)32(30,31)27-11-3-4-12-27/h1-2,5-10,13-14,23H,3-4,11-12,15H2,(H,24,29)(H,26,28)/b25-14-
InChIKeyRCVGOGLSUXDSMT-QFEZKATASA-N
MW453.52 g/mol
LogP1.83
Rot. Bonds7

About N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 136755725) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID136755725
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N5O4S/c28-21(26-25-14-17-13-23-20-6-2-1-5-19(17)20)15-24-22(29)16-7-9-18(10-8-16)32(30,31)27-11-3-4-12-27/h1-2,5-10,13-14,23H,3-4,11-12,15H2,(H,24,29)(H,26,28)/b25-14-
InChIKeyRCVGOGLSUXDSMT-QFEZKATASA-N
XLogP1.83
TPSA123.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 51.83
H-Bond Donors ≤ 53
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-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6034339
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 136806694
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135795104
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 137054711
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
N-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6005443
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 135685527
N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948612
N-[2-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6286698
N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 2641960
N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 43948606

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 136755725) is N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RCVGOGLSUXDSMT-QFEZKATASA-N. The full InChI is InChI=1S/C22H23N5O4S/c28-21(26-25-14-17-13-23-20-6-2-1-5-19(17)20)15-24-22(29)16-7-9-18(10-8-16)32(30,31)27-11-3-4-12-27/h1-2,5-10,13-14,23H,3-4,11-12,15H2,(H,24,29)(H,26,28)/b25-14-.
What are the key properties of N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 453.52 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 136755725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).