N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide

C24H27ClN6O3S2 — CID 23106367

About N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide

N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide (PubChem CID 23106367) has the molecular formula C24H27ClN6O3S2 and a molecular weight of 547.11 g/mol. Its IUPAC name is N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

• Compound Name: N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide
• PubChem CID: 23106367
• Molecular Formula: C24H27ClN6O3S2
• Molecular Weight: 547.11 g/mol
• Exact Mass: 546.13
• IUPAC Name: N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide
• SMILES: Cc1csc(S(=O)(=O)N(CC(C)C)c2cc(C)c(Cl)cc2OCc2ccc(-c3nn[nH]n3)cc2C)n1
• InChI: InChI=1S/C24H27ClN6O3S2/c1-14(2)11-31(36(32,33)24-26-17(5)13-35-24)21-9-16(4)20(25)10-22(21)34-12-19-7-6-18(8-15(19)3)23-27-29-30-28-23/h6-10,13-14H,11-12H2,1-5H3,(H,27,28,29,30)
• InChIKey: OHFAOHPJDUGWHB-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 113.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.11
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide?

The IUPAC name of N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide (CID 23106367) is N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide.

What is the SMILES notation for N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide?

The canonical SMILES for N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide is Cc1csc(S(=O)(=O)N(CC(C)C)c2cc(C)c(Cl)cc2OCc2ccc(-c3nn[nH]n3)cc2C)n1.

What is the InChIKey of N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide?

The InChIKey is OHFAOHPJDUGWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O3S2/c1-14(2)11-31(36(32,33)24-26-17(5)13-35-24)21-9-16(4)20(25)10-22(21)34-12-19-7-6-18(8-15(19)3)23-27-29-30-28-23/h6-10,13-14H,11-12H2,1-5H3,(H,27,28,29,30).

What are the key properties of N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide?

N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide has a molecular weight of 547.11 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-5-methyl-2-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 23106367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).