4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide

C15H17N3O4S — CID 9479972

IUPAC4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NN(C)c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-18(11-6-4-3-5-7-11)17-15(19)13-10-12(23(16,20)21)8-9-14(13)22-2/h3-10H,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyARDREYRHRLANFI-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.12
Rot. Bonds5

About 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide

4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide (PubChem CID 9479972) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
PubChem CID9479972
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NN(C)c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-18(11-6-4-3-5-7-11)17-15(19)13-10-12(23(16,20)21)8-9-14(13)22-2/h3-10H,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyARDREYRHRLANFI-UHFFFAOYSA-N
XLogP1.12
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(N-benzylanilino)carbamoyl]-4-methoxybenzenesulfonamide
CID 9206573
3-methoxy-N'-methyl-N'-phenylnaphthalene-2-carbohydrazide
CID 9479564
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
[2-(N-methylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518455
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25494157
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide (CID 9479972) is 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NN(C)c1ccccc1.
What is the InChIKey of 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide?
The InChIKey is ARDREYRHRLANFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-18(11-6-4-3-5-7-11)17-15(19)13-10-12(23(16,20)21)8-9-14(13)22-2/h3-10H,1-2H3,(H,17,19)(H2,16,20,21).
What are the key properties of 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide?
4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide has a molecular weight of 335.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 9479972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).