trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide

C17H20FN3O3S — CID 134553009

IUPACtrans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)[C@@H]2CCC[C@H]2c2ncc(F)cn2)cc1
InChIInChI=1S/C17H20FN3O3S/c1-24-14-7-5-12(6-8-14)9-21-25(22,23)16-4-2-3-15(16)17-19-10-13(18)11-20-17/h5-8,10-11,15-16,21H,2-4,9H2,1H3/t15-,16-/m1/s1
InChIKeyXULTXOVSJDEVTQ-HZPDHXFCSA-N
MW365.43 g/mol
LogP2.38
Rot. Bonds6

About trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide

trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide (PubChem CID 134553009) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide
PubChem CID134553009
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Nametrans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)[C@@H]2CCC[C@H]2c2ncc(F)cn2)cc1
InChIInChI=1S/C17H20FN3O3S/c1-24-14-7-5-12(6-8-14)9-21-25(22,23)16-4-2-3-15(16)17-19-10-13(18)11-20-17/h5-8,10-11,15-16,21H,2-4,9H2,1H3/t15-,16-/m1/s1
InChIKeyXULTXOVSJDEVTQ-HZPDHXFCSA-N
XLogP2.38
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide
CID 134541124
(2S,3R)-N-[(4-methoxyphenyl)methyl]-2-(5-methylpyrimidin-2-yl)oxane-3-sulfonamide
CID 122701540
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine
CID 134534763
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
9-cyclopentyl-7,7-difluoro-2-[(4-methoxyphenyl)methylamino]-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 167462806

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide?
The IUPAC name of trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide (CID 134553009) is trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide.
What is the SMILES notation for trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide?
The canonical SMILES for trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide is COc1ccc(CNS(=O)(=O)[C@@H]2CCC[C@H]2c2ncc(F)cn2)cc1.
What is the InChIKey of trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide?
The InChIKey is XULTXOVSJDEVTQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-24-14-7-5-12(6-8-14)9-21-25(22,23)16-4-2-3-15(16)17-19-10-13(18)11-20-17/h5-8,10-11,15-16,21H,2-4,9H2,1H3/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide?
trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide has a molecular weight of 365.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide is sourced from PubChem (CID 134553009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).