3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide

C17H19ClFN3O3S — CID 90634528

IUPAC3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H19ClFN3O3S/c1-11-15(18)3-2-4-16(11)26(23,24)22-13-5-7-14(8-6-13)25-17-20-9-12(19)10-21-17/h2-4,9-10,13-14,22H,5-8H2,1H3
InChIKeyMCMGSMUQAHHWPE-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.25
Rot. Bonds5

About 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide

3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide (PubChem CID 90634528) has the molecular formula C17H19ClFN3O3S and a molecular weight of 399.88 g/mol. Its IUPAC name is 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide
PubChem CID90634528
Molecular FormulaC17H19ClFN3O3S
Molecular Weight399.88 g/mol
Exact Mass399.08
IUPAC Name3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H19ClFN3O3S/c1-11-15(18)3-2-4-16(11)26(23,24)22-13-5-7-14(8-6-13)25-17-20-9-12(19)10-21-17/h2-4,9-10,13-14,22H,5-8H2,1H3
InChIKeyMCMGSMUQAHHWPE-UHFFFAOYSA-N
XLogP3.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 90634538
(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90634548
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90634541
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
CID 90634026
1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90634554
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
CID 90634090
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
3-chloro-2-methyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 99874881
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide (CID 90634528) is 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide?
The InChIKey is MCMGSMUQAHHWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O3S/c1-11-15(18)3-2-4-16(11)26(23,24)22-13-5-7-14(8-6-13)25-17-20-9-12(19)10-21-17/h2-4,9-10,13-14,22H,5-8H2,1H3.
What are the key properties of 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide?
3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide has a molecular weight of 399.88 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 90634528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).