(E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine

C10H12N2O4S — CID 6393769

IUPAC(E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine
SMILESCN(C)/C=C(\[N+](=O)[O-])S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O4S/c1-11(2)8-10(12(13)14)17(15,16)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+
InChIKeyOAKJEQMGFHUZJY-CSKARUKUSA-N
MW256.28 g/mol
LogP1.10
Rot. Bonds4

About (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine

(E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine (PubChem CID 6393769) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine.

Molecular Properties

Compound Name(E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine
PubChem CID6393769
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name(E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine
SMILESCN(C)/C=C(\[N+](=O)[O-])S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O4S/c1-11(2)8-10(12(13)14)17(15,16)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+
InChIKeyOAKJEQMGFHUZJY-CSKARUKUSA-N
XLogP1.10
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-[[(E)-2-(benzenesulfonyl)-2-nitroethenyl]amino]-N,N-dimethylbenzenesulfonamide
CID 6289828
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-methoxyaniline
CID 1487291
N-[2-(benzenesulfonyl)-2-nitroethenyl]-4-chloroaniline
CID 3561551
(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 6367762
(Z)-2-(benzenesulfonyl)-1-(2-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1483456
but-2-en-2-ylsulfonylbenzene
CID 85377514
1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-4-nitrobenzene
CID 88656944
N-(benzenesulfonyl)-N-nitroformamide
CID 54117272
(E)-3-(dimethylamino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 97032798
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 66915973

Frequently Asked Questions

What is the IUPAC name of (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine?
The IUPAC name of (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine (CID 6393769) is (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine.
What is the SMILES notation for (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine?
The canonical SMILES for (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine is CN(C)/C=C(\[N+](=O)[O-])S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine?
The InChIKey is OAKJEQMGFHUZJY-CSKARUKUSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-11(2)8-10(12(13)14)17(15,16)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+.
What are the key properties of (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine?
(E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine has a molecular weight of 256.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine is sourced from PubChem (CID 6393769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).