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

C17H20FN3O3S — CID 134541124

IUPACcis-(1S,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-CVEARBPZSA-N
MW365.43 g/mol
LogP2.38
Rot. Bonds6

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

cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide (PubChem CID 134541124) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide
PubChem CID134541124
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Namecis-(1S,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-CVEARBPZSA-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

2-(4-Methoxyphenyl)pyrimidine
CID 10943178
(Z)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 146417859
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 146427600
2-Amino-N-(4-isopropoxybenzyl)-5-pyrimidinesulfonamide
CID 16031287
US10058550, Example 695.0
CID 136213640
2-amino-N-[(2-methoxyphenyl)methyl]pyrimidine-5-sulfonamide
CID 16031289
2-amino-N-[(4-methoxyphenyl)methyl]pyrimidine-5-sulfonamide
CID 16031214
2-N-[(4-methoxyphenyl)methyl]-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 118709992
US10221162, Example 748.0
CID 122701719
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 44820594
N-benzyl-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 44820598
6-(2,5-difluorophenyl)sulfonyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147301

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide?
The IUPAC name of cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide (CID 134541124) is cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide.
What is the SMILES notation for cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide?
The canonical SMILES for cis-(1S,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 cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide?
The InChIKey is XULTXOVSJDEVTQ-CVEARBPZSA-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 cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide?
cis-(1S,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 cis-(1S,2S)-2-(5-fluoropyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]cyclopentane-1-sulfonamide is sourced from PubChem (CID 134541124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).