N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide

C19H24ClN3O4S — CID 90634090

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc1
InChIInChI=1S/C19H24ClN3O4S/c1-13(2)26-16-7-9-18(10-8-16)28(24,25)23-15-3-5-17(6-4-15)27-19-21-11-14(20)12-22-19/h7-13,15,17,23H,3-6H2,1-2H3
InChIKeyBETFSHGELMDKEZ-UHFFFAOYSA-N
MW425.94 g/mol
LogP3.59
Rot. Bonds7

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 90634090) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID90634090
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc1
InChIInChI=1S/C19H24ClN3O4S/c1-13(2)26-16-7-9-18(10-8-16)28(24,25)23-15-3-5-17(6-4-15)27-19-21-11-14(20)12-22-19/h7-13,15,17,23H,3-6H2,1-2H3
InChIKeyBETFSHGELMDKEZ-UHFFFAOYSA-N
XLogP3.59
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
CID 90634026
N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110736348
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-propan-2-ylbenzenesulfonamide
CID 169022571
N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90634541
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040
3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide
CID 90634528
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide (CID 90634090) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is BETFSHGELMDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-13(2)26-16-7-9-18(10-8-16)28(24,25)23-15-3-5-17(6-4-15)27-19-21-11-14(20)12-22-19/h7-13,15,17,23H,3-6H2,1-2H3.
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 90634090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).