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

C18H19NO5S — CID 110604225

IUPACN-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)C3CC3)cc2)c1
InChIInChI=1S/C18H19NO5S/c1-23-15-9-10-16(24-2)17(11-15)25(21,22)19-14-7-5-13(6-8-14)18(20)12-3-4-12/h5-12,19H,3-4H2,1-2H3
InChIKeyLRPFCHCDVVPQFX-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.10
Rot. Bonds7

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

N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 110604225) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID110604225
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)C3CC3)cc2)c1
InChIInChI=1S/C18H19NO5S/c1-23-15-9-10-16(24-2)17(11-15)25(21,22)19-14-7-5-13(6-8-14)18(20)12-3-4-12/h5-12,19H,3-4H2,1-2H3
InChIKeyLRPFCHCDVVPQFX-UHFFFAOYSA-N
XLogP3.10
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 39450572
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
CID 39416904
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 99780414

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide (CID 110604225) is N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is LRPFCHCDVVPQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-23-15-9-10-16(24-2)17(11-15)25(21,22)19-14-7-5-13(6-8-14)18(20)12-3-4-12/h5-12,19H,3-4H2,1-2H3.
What are the key properties of N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110604225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).