N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide

C23H25ClN6O5S3 — CID 176938266

IUPACN-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1C(=O)N1CCc2nc(S(=O)(=O)N3CCN(c4nc(Cl)cs4)CC3)ccc21)S(C)(=O)=O
InChIInChI=1S/C23H25ClN6O5S3/c1-27(37(2,32)33)18-6-4-3-5-16(18)22(31)30-10-9-17-19(30)7-8-21(25-17)38(34,35)29-13-11-28(12-14-29)23-26-20(24)15-36-23/h3-8,15H,9-14H2,1-2H3
InChIKeyHIDAXJPLPPUTQJ-UHFFFAOYSA-N
MW597.14 g/mol
LogP2.30
Rot. Bonds6

About N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide

N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 176938266) has the molecular formula C23H25ClN6O5S3 and a molecular weight of 597.14 g/mol. Its IUPAC name is N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
PubChem CID176938266
Molecular FormulaC23H25ClN6O5S3
Molecular Weight597.14 g/mol
Exact Mass596.07
IUPAC NameN-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1C(=O)N1CCc2nc(S(=O)(=O)N3CCN(c4nc(Cl)cs4)CC3)ccc21)S(C)(=O)=O
InChIInChI=1S/C23H25ClN6O5S3/c1-27(37(2,32)33)18-6-4-3-5-16(18)22(31)30-10-9-17-19(30)7-8-21(25-17)38(34,35)29-13-11-28(12-14-29)23-26-20(24)15-36-23/h3-8,15H,9-14H2,1-2H3
InChIKeyHIDAXJPLPPUTQJ-UHFFFAOYSA-N
XLogP2.30
TPSA124.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide (CID 176938266) is N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide is CN(c1ccccc1C(=O)N1CCc2nc(S(=O)(=O)N3CCN(c4nc(Cl)cs4)CC3)ccc21)S(C)(=O)=O.
What is the InChIKey of N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is HIDAXJPLPPUTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O5S3/c1-27(37(2,32)33)18-6-4-3-5-16(18)22(31)30-10-9-17-19(30)7-8-21(25-17)38(34,35)29-13-11-28(12-14-29)23-26-20(24)15-36-23/h3-8,15H,9-14H2,1-2H3.
What are the key properties of N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 597.14 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carbonyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 176938266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).