N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide

C18H22ClN3O3S — CID 90634026

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc1C
InChIInChI=1S/C18H22ClN3O3S/c1-12-3-8-17(9-13(12)2)26(23,24)22-15-4-6-16(7-5-15)25-18-20-10-14(19)11-21-18/h3,8-11,15-16,22H,4-7H2,1-2H3
InChIKeySJCVRZJNRWIENG-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.42
Rot. Bonds5

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 90634026) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
PubChem CID90634026
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc1C
InChIInChI=1S/C18H22ClN3O3S/c1-12-3-8-17(9-13(12)2)26(23,24)22-15-4-6-16(7-5-15)25-18-20-10-14(19)11-21-18/h3,8-11,15-16,22H,4-7H2,1-2H3
InChIKeySJCVRZJNRWIENG-UHFFFAOYSA-N
XLogP3.42
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
CID 90634090
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90634541
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 90635010
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide
CID 90634528
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 90634538
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide (CID 90634026) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)cc1C.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is SJCVRZJNRWIENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-12-3-8-17(9-13(12)2)26(23,24)22-15-4-6-16(7-5-15)25-18-20-10-14(19)11-21-18/h3,8-11,15-16,22H,4-7H2,1-2H3.
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 90634026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).