N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide

C16H19N3O4S — CID 75522296

IUPACN-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
SMILESCN(C)c1ccccc1N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O4S/c1-17(2)15-10-6-7-11-16(15)18(3)24(22,23)12-13-8-4-5-9-14(13)19(20)21/h4-11H,12H2,1-3H3
InChIKeyMNXDCPRDOCPYGJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide

N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 75522296) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
PubChem CID75522296
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
SMILESCN(C)c1ccccc1N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O4S/c1-17(2)15-10-6-7-11-16(15)18(3)24(22,23)12-13-8-4-5-9-14(13)19(20)21/h4-11H,12H2,1-3H3
InChIKeyMNXDCPRDOCPYGJ-UHFFFAOYSA-N
XLogP2.63
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.63
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

N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522273
1-ethyl-2-nitrobenzene;(2-nitrophenyl)methanesulfonyl chloride
CID 160906769
2-methyl-2-[methyl-[(2-nitrophenyl)methylsulfonyl]amino]propanoic acid
CID 62818179
N-methyl-1-(2-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297855
2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine
CID 106759841
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide
CID 91153349
N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propan-2-ylmethanesulfonamide
CID 62020510
N-(cyanomethyl)-1-(2-nitrophenyl)-N-propylmethanesulfonamide
CID 62021060
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 104624310
N-(2,2-dimethoxyethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62967512

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide (CID 75522296) is N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide is CN(C)c1ccccc1N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is MNXDCPRDOCPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-17(2)15-10-6-7-11-16(15)18(3)24(22,23)12-13-8-4-5-9-14(13)19(20)21/h4-11H,12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide?
N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 75522296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).