N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide

C18H22ClN5O3S — CID 135375698

IUPACN-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)c1
InChIInChI=1S/C18H22ClN5O3S/c1-28(26,27)21-17-6-20-24(12-17)18(25)23-10-14-8-22(9-15(14)11-23)7-13-2-4-16(19)5-3-13/h2-6,12,14-15,21H,7-11H2,1H3
InChIKeyZCGPCLAKIRSPLO-UHFFFAOYSA-N
MW423.93 g/mol
LogP1.94
Rot. Bonds4

About N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide

N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 135375698) has the molecular formula C18H22ClN5O3S and a molecular weight of 423.93 g/mol. Its IUPAC name is N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide
PubChem CID135375698
Molecular FormulaC18H22ClN5O3S
Molecular Weight423.93 g/mol
Exact Mass423.11
IUPAC NameN-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)c1
InChIInChI=1S/C18H22ClN5O3S/c1-28(26,27)21-17-6-20-24(12-17)18(25)23-10-14-8-22(9-15(14)11-23)7-13-2-4-16(19)5-3-13/h2-6,12,14-15,21H,7-11H2,1H3
InChIKeyZCGPCLAKIRSPLO-UHFFFAOYSA-N
XLogP1.94
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide with MolForge

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Related Compounds

US10323038, Example 279
CID 135375595
US10323038, Example 297
CID 135375601
US10323038, Example 98
CID 135375605
US10323038, Example 275
CID 135375634
US10323038, Example 122
CID 135375641
US10323038, Example 277
CID 135375750
US10323038, Example 293
CID 135375789
US11149037, Example 51
CID 146518223
US10323038, Example 109
CID 135375446
US10323038, Example 172
CID 135375559
US10323038, Example 11
CID 135375563
US10323038, Example 9
CID 135375647

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide (CID 135375698) is N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(C(=O)N2CC3CN(Cc4ccc(Cl)cc4)CC3C2)c1.
What is the InChIKey of N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is ZCGPCLAKIRSPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3S/c1-28(26,27)21-17-6-20-24(12-17)18(25)23-10-14-8-22(9-15(14)11-23)7-13-2-4-16(19)5-3-13/h2-6,12,14-15,21H,7-11H2,1H3.
What are the key properties of N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide?
N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 423.93 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 135375698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).