N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide

C10H17N5O4S — CID 43142198

IUPACN-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H17N5O4S/c1-14(2)6-5-12-20(18,19)8-3-4-9(13-11)10(7-8)15(16)17/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyMKKJXBDLQHZLNT-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.28
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide (PubChem CID 43142198) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
PubChem CID43142198
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC NameN-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H17N5O4S/c1-14(2)6-5-12-20(18,19)8-3-4-9(13-11)10(7-8)15(16)17/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyMKKJXBDLQHZLNT-UHFFFAOYSA-N
XLogP-0.28
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 43244697
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
N-[2-(dimethylamino)ethyl]-4-(4-methylanilino)-3-nitrobenzenesulfonamide
CID 9187411
N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62640031
N-[2-(dimethylamino)ethyl]-4-(4-methoxyanilino)-3-nitrobenzenesulfonamide
CID 9187436
N-[2-(dimethylamino)ethyl]-4-(2-fluoro-4-methylanilino)-3-nitrobenzenesulfonamide
CID 9250673
6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide
CID 82222955
N-[2-(dimethylamino)ethyl]-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-nitrobenzenesulfonamide
CID 55346612
N-[2-(dimethylamino)ethyl]-4-[[2-(dimethylamino)-4-pyridinyl]methylamino]-3-nitrobenzenesulfonamide
CID 55638511
N-[2-(dimethylamino)ethyl]-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-nitrobenzenesulfonamide
CID 55346473
4-(1,3-benzodioxol-5-ylmethylamino)-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 4842075
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide (CID 43142198) is N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide?
The InChIKey is MKKJXBDLQHZLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-14(2)6-5-12-20(18,19)8-3-4-9(13-11)10(7-8)15(16)17/h3-4,7,12-13H,5-6,11H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43142198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).