N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C18H20FNO4S2 — CID 87032983

IUPACN-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C18H20FNO4S2/c1-2-25(21,22)17-8-10-18(11-9-17)26(23,24)20(16-6-7-16)13-14-4-3-5-15(19)12-14/h3-5,8-12,16H,2,6-7,13H2,1H3
InChIKeyVUMJYSGIDAOZFR-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.97
Rot. Bonds7

About N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide

N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 87032983) has the molecular formula C18H20FNO4S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID87032983
Molecular FormulaC18H20FNO4S2
Molecular Weight397.49 g/mol
Exact Mass397.08
IUPAC NameN-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C18H20FNO4S2/c1-2-25(21,22)17-8-10-18(11-9-17)26(23,24)20(16-6-7-16)13-14-4-3-5-15(19)12-14/h3-5,8-12,16H,2,6-7,13H2,1H3
InChIKeyVUMJYSGIDAOZFR-UHFFFAOYSA-N
XLogP2.97
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47268028
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-ethylsulfonylbenzenesulfonamide
CID 55872067
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854839
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534239
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 55593568
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 87032983) is N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide is CCS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccc(F)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is VUMJYSGIDAOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S2/c1-2-25(21,22)17-8-10-18(11-9-17)26(23,24)20(16-6-7-16)13-14-4-3-5-15(19)12-14/h3-5,8-12,16H,2,6-7,13H2,1H3.
What are the key properties of N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 397.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 87032983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).