4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide

C19H24ClN3O3S2 — CID 135931350

IUPAC4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide
SMILESCCCc1cc(=O)[nH]c(S[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H24ClN3O3S2/c1-2-5-14-12-18(24)22-19(21-14)27-17-7-4-3-6-16(17)23-28(25,26)15-10-8-13(20)9-11-15/h8-12,16-17,23H,2-7H2,1H3,(H,21,22,24)/t16-,17+/m0/s1
InChIKeyHDWBVWSIUCNEEP-DLBZAZTESA-N
MW442.01 g/mol
LogP3.76
Rot. Bonds7

About 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide

4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide (PubChem CID 135931350) has the molecular formula C19H24ClN3O3S2 and a molecular weight of 442.01 g/mol. Its IUPAC name is 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide
PubChem CID135931350
Molecular FormulaC19H24ClN3O3S2
Molecular Weight442.01 g/mol
Exact Mass441.09
IUPAC Name4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide
SMILESCCCc1cc(=O)[nH]c(S[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H24ClN3O3S2/c1-2-5-14-12-18(24)22-19(21-14)27-17-7-4-3-6-16(17)23-28(25,26)15-10-8-13(20)9-11-15/h8-12,16-17,23H,2-7H2,1H3,(H,21,22,24)/t16-,17+/m0/s1
InChIKeyHDWBVWSIUCNEEP-DLBZAZTESA-N
XLogP3.76
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 135932244
4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
CID 2198514
4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
CID 2975041
4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide
CID 1167631
4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
CID 1081831
2-[2-cyclopentyl-2-(methylamino)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136913794
4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 92669885
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136995221
4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 106093469
N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
CID 2427256
2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135459608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide (CID 135931350) is 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide is CCCc1cc(=O)[nH]c(S[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
The InChIKey is HDWBVWSIUCNEEP-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24ClN3O3S2/c1-2-5-14-12-18(24)22-19(21-14)27-17-7-4-3-6-16(17)23-28(25,26)15-10-8-13(20)9-11-15/h8-12,16-17,23H,2-7H2,1H3,(H,21,22,24)/t16-,17+/m0/s1.
What are the key properties of 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide?
4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide has a molecular weight of 442.01 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 135931350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).