N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide

C14H16N2O5S3 — CID 6284996

IUPACN-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide
SMILESCCO/S(=N\S(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16N2O5S3/c1-2-21-22(15-23(17,18)13-9-5-3-6-10-13)16-24(19,20)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,15,16)
InChIKeyJFBTZEURTXYGGM-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.02
Rot. Bonds7

About N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide

N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide (PubChem CID 6284996) has the molecular formula C14H16N2O5S3 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide
PubChem CID6284996
Molecular FormulaC14H16N2O5S3
Molecular Weight388.49 g/mol
Exact Mass388.02
IUPAC NameN-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide
SMILESCCO/S(=N\S(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16N2O5S3/c1-2-21-22(15-23(17,18)13-9-5-3-6-10-13)16-24(19,20)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,15,16)
InChIKeyJFBTZEURTXYGGM-UHFFFAOYSA-N
XLogP2.02
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]-N-hydroxybenzeneamine oxide
CID 20835496
ethyl N-(benzenesulfonyl)sulfamate
CID 146355188
(NZ)-N-[(2-bromophenyl)-(2-chloro-1-ethoxyethyl)-λ4-sulfanylidene]benzenesulfonamide
CID 6022425
ethyl N-(benzenesulfonyl)methanimidothioate
CID 68716188
(NE)-N-[(2-nitrophenyl)-propoxy-λ4-sulfanylidene]benzenesulfonamide
CID 6036107
ethyl N-(benzenesulfonyl)benzenecarboximidate
CID 21203329
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
benzenesulfonylimino(diethyl)phosphanium
CID 118474033
methyl N-(benzenesulfonyl)carbamate
CID 676519
ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
CID 18664309
N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide
CID 123783017
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301

Frequently Asked Questions

What is the IUPAC name of N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide?
The IUPAC name of N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide (CID 6284996) is N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide.
What is the SMILES notation for N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide?
The canonical SMILES for N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide is CCO/S(=N\S(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide?
The InChIKey is JFBTZEURTXYGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S3/c1-2-21-22(15-23(17,18)13-9-5-3-6-10-13)16-24(19,20)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,15,16).
What are the key properties of N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide?
N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(benzenesulfonyl)-S-ethoxysulfinimidoyl]benzenesulfonamide is sourced from PubChem (CID 6284996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).