1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide

C15H21FN2O5S — CID 75391645

IUPAC1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide
SMILESCOc1cc(F)c(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)cc1OC
InChIInChI=1S/C15H21FN2O5S/c1-18(15(14(17)19)6-4-5-7-15)24(20,21)13-9-12(23-3)11(22-2)8-10(13)16/h8-9H,4-7H2,1-3H3,(H2,17,19)
InChIKeyYRRRIEZGETUBMK-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.26
Rot. Bonds6

About 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide

1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide (PubChem CID 75391645) has the molecular formula C15H21FN2O5S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide
PubChem CID75391645
Molecular FormulaC15H21FN2O5S
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Name1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide
SMILESCOc1cc(F)c(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)cc1OC
InChIInChI=1S/C15H21FN2O5S/c1-18(15(14(17)19)6-4-5-7-15)24(20,21)13-9-12(23-3)11(22-2)8-10(13)16/h8-9H,4-7H2,1-3H3,(H2,17,19)
InChIKeyYRRRIEZGETUBMK-UHFFFAOYSA-N
XLogP1.26
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide 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

2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide
CID 69223080
2-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 35310374
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide
CID 61234361
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 167935434
[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
CID 79067601
1,4-bis[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-1,4-diazepane
CID 5305602
N-(4-acetyl-2,3,6-trifluorophenyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 75458403
2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120718040
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide (CID 75391645) is 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide is COc1cc(F)c(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)cc1OC.
What is the InChIKey of 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide?
The InChIKey is YRRRIEZGETUBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O5S/c1-18(15(14(17)19)6-4-5-7-15)24(20,21)13-9-12(23-3)11(22-2)8-10(13)16/h8-9H,4-7H2,1-3H3,(H2,17,19).
What are the key properties of 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide?
1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 75391645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).