3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide

C18H21NO4S — CID 42269288

IUPAC3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C18H21NO4S/c1-22-16-9-8-15(12-17(16)23-2)24(20,21)19-13-18(10-11-18)14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyUYBKEEBWJZFWPB-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.71
Rot. Bonds7

About 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide

3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 42269288) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
PubChem CID42269288
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C18H21NO4S/c1-22-16-9-8-15(12-17(16)23-2)24(20,21)19-13-18(10-11-18)14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyUYBKEEBWJZFWPB-UHFFFAOYSA-N
XLogP2.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
CID 1114580
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450563
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 91631137
3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723853
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363
3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665317
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 110416686

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide (CID 42269288) is 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is UYBKEEBWJZFWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-16-9-8-15(12-17(16)23-2)24(20,21)19-13-18(10-11-18)14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide?
3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42269288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).