2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene

C8H10ClN3O4S — CID 3515544

IUPAC2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
SMILESCN(C)S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C8H10ClN3O4S/c1-11(2)17(15,16)10-8-4-3-6(12(13)14)5-7(8)9/h3-5,10H,1-2H3
InChIKeyZXIVDUYYQXMPMX-UHFFFAOYSA-N
MW279.70 g/mol
LogP1.47
Rot. Bonds4

About 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene

2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene (PubChem CID 3515544) has the molecular formula C8H10ClN3O4S and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene.

Molecular Properties

Compound Name2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
PubChem CID3515544
Molecular FormulaC8H10ClN3O4S
Molecular Weight279.70 g/mol
Exact Mass279.01
IUPAC Name2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
SMILESCN(C)S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C8H10ClN3O4S/c1-11(2)17(15,16)10-8-4-3-6(12(13)14)5-7(8)9/h3-5,10H,1-2H3
InChIKeyZXIVDUYYQXMPMX-UHFFFAOYSA-N
XLogP1.47
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
N,2-dichloro-4-nitroaniline
CID 57242965
1-(dimethylsulfamoylamino)-3-nitrobenzene
CID 721778
N-but-2-ynyl-2-chloro-4-nitroaniline
CID 115869271
N-(2-chloro-4-nitrophenyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 28543307
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
1,1,2-trichloro-N,N'-bis(2-chloro-4-nitrophenyl)ethane-1,2-diamine
CID 20980486
3-tert-butyl-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-phenylbenzenesulfonamide
CID 11712321
4-[(2-chloro-4-nitroanilino)methyl]-N,N-diethylbenzenesulfonamide
CID 9030568
(1R)-N'-(2-chloro-4-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 7834758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene?
The IUPAC name of 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene (CID 3515544) is 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene.
What is the SMILES notation for 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene?
The canonical SMILES for 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene is CN(C)S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene?
The InChIKey is ZXIVDUYYQXMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O4S/c1-11(2)17(15,16)10-8-4-3-6(12(13)14)5-7(8)9/h3-5,10H,1-2H3.
What are the key properties of 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene?
2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene has a molecular weight of 279.70 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene is sourced from PubChem (CID 3515544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).