1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide

C24H26ClF2N7O3S3 — CID 178118227

About 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide

1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide (PubChem CID 178118227) has the molecular formula C24H26ClF2N7O3S3 and a molecular weight of 630.17 g/mol. Its IUPAC name is 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide
• PubChem CID: 178118227
• Molecular Formula: C24H26ClF2N7O3S3
• Molecular Weight: 630.17 g/mol
• Exact Mass: 629.09
• IUPAC Name: 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide
• SMILES: [H]N=[S@@](=O)(CCN(C)C)c1ccc(-c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)nc(Cl)c23)cc1
• InChI: InChI=1S/C24H26ClF2N7O3S3/c1-24(8-9-24)32-40(36,37)16-12-17(14-4-6-15(7-5-14)39(28,35)11-10-33(2)3)18-19(25)29-21(34(18)13-16)23-31-30-22(38-23)20(26)27/h4-7,12-13,20,28,32H,8-11H2,1-3H3/t39-/m1/s1
• InChIKey: XDEWETITABIGIX-LDLOPFEMSA-N
• XLogP: 4.91
• TPSA: 133.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.17
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide?

The IUPAC name of 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide (CID 178118227) is 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide.

What is the SMILES notation for 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide?

The canonical SMILES for 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide is [H]N=[S@@](=O)(CCN(C)C)c1ccc(-c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)nc(Cl)c23)cc1.

What is the InChIKey of 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide?

The InChIKey is XDEWETITABIGIX-LDLOPFEMSA-N. The full InChI is InChI=1S/C24H26ClF2N7O3S3/c1-24(8-9-24)32-40(36,37)16-12-17(14-4-6-15(7-5-14)39(28,35)11-10-33(2)3)18-19(25)29-21(34(18)13-16)23-31-30-22(38-23)20(26)27/h4-7,12-13,20,28,32H,8-11H2,1-3H3/t39-/m1/s1.

What are the key properties of 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide?

1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide has a molecular weight of 630.17 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[4-[2-(dimethylamino)ethylsulfonimidoyl]phenyl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178118227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).