N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide

C17H20N2O4S — CID 112980039

IUPACN-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC3CC3)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-22-15-9-10-16(23-2)17(11-15)24(20,21)19-14-7-5-13(6-8-14)18-12-3-4-12/h5-12,18-19H,3-4H2,1-2H3
InChIKeyPDEUKLDDBAGEMV-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.08
Rot. Bonds7

About N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide

N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 112980039) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID112980039
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC3CC3)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-22-15-9-10-16(23-2)17(11-15)24(20,21)19-14-7-5-13(6-8-14)18-12-3-4-12/h5-12,18-19H,3-4H2,1-2H3
InChIKeyPDEUKLDDBAGEMV-UHFFFAOYSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-[5-(cyclopropylamino)-2-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113023785
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24662891
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide (CID 112980039) is N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC3CC3)cc2)c1.
What is the InChIKey of N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is PDEUKLDDBAGEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-22-15-9-10-16(23-2)17(11-15)24(20,21)19-14-7-5-13(6-8-14)18-12-3-4-12/h5-12,18-19H,3-4H2,1-2H3.
What are the key properties of N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 112980039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).