N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide

C15H15ClN2O5S — CID 99628913

IUPACN-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C15H15ClN2O5S/c1-10-4-6-12(9-14(10)18(19)20)24(21,22)17(2)11-5-7-15(23-3)13(16)8-11/h4-9H,1-3H3
InChIKeyXFMKWQCKOXXDGI-UHFFFAOYSA-N
MW370.81 g/mol
LogP3.39
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide

N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide (PubChem CID 99628913) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
PubChem CID99628913
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C15H15ClN2O5S/c1-10-4-6-12(9-14(10)18(19)20)24(21,22)17(2)11-5-7-15(23-3)13(16)8-11/h4-9H,1-3H3
InChIKeyXFMKWQCKOXXDGI-UHFFFAOYSA-N
XLogP3.39
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 53.39
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-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652
4-methoxy-N-methyl-3-nitro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 22344731
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
N-(3-chloro-4-methylphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 99841938
3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 100514963
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 8778170
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
N-(3,4-dimethoxyphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 94919629
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954
N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-3-methyl-4-nitrobenzamide
CID 19211641
N-(3-chloro-4-methylphenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 100538866

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide (CID 99628913) is N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide?
The InChIKey is XFMKWQCKOXXDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-10-4-6-12(9-14(10)18(19)20)24(21,22)17(2)11-5-7-15(23-3)13(16)8-11/h4-9H,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide?
N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide has a molecular weight of 370.81 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 99628913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).