N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide

C17H17N3O4S2 — CID 9089372

IUPACN-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide
SMILESO=C(/C=C/Sc1ccccc1)NNC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17N3O4S2/c21-16(11-12-25-14-7-3-1-4-8-14)19-20-17(22)13-18-26(23,24)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,19,21)(H,20,22)/b12-11+
InChIKeySYFYGWRAVGNABF-VAWYXSNFSA-N
MW391.47 g/mol
LogP1.42
Rot. Bonds7

About N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide

N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 9089372) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide
PubChem CID9089372
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide
SMILESO=C(/C=C/Sc1ccccc1)NNC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17N3O4S2/c21-16(11-12-25-14-7-3-1-4-8-14)19-20-17(22)13-18-26(23,24)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,19,21)(H,20,22)/b12-11+
InChIKeySYFYGWRAVGNABF-VAWYXSNFSA-N
XLogP1.42
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 5053878
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
CID 63914257
N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9089374
azane;(E)-3-phenylsulfanylprop-2-enoic acid
CID 131666969
2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110446210
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
2-(benzenesulfonamido)-N-(2,6-dichlorophenyl)acetamide
CID 113001458
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440
N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide
CID 166681059
(E)-1-phenyl-4-phenylsulfanylbut-3-en-2-one
CID 175599085
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide (CID 9089372) is N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide is O=C(/C=C/Sc1ccccc1)NNC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is SYFYGWRAVGNABF-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c21-16(11-12-25-14-7-3-1-4-8-14)19-20-17(22)13-18-26(23,24)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,19,21)(H,20,22)/b12-11+.
What are the key properties of N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide?
N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 9089372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).