4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide

C30H39N3O6S2 — CID 46088426

IUPAC4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)CC3)c2)cc1
InChIInChI=1S/C30H39N3O6S2/c1-20-21(2)23(4)30(24(5)22(20)3)41(36,37)33-17-15-32(16-18-33)28-19-27(13-14-29(28)39-8)40(34,35)31(6)25-9-11-26(38-7)12-10-25/h9-14,19H,15-18H2,1-8H3
InChIKeyISGFUVSRUJJYGP-UHFFFAOYSA-N
MW601.79 g/mol
LogP4.58
Rot. Bonds8

About 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide

4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide (PubChem CID 46088426) has the molecular formula C30H39N3O6S2 and a molecular weight of 601.79 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide
PubChem CID46088426
Molecular FormulaC30H39N3O6S2
Molecular Weight601.79 g/mol
Exact Mass601.23
IUPAC Name4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)CC3)c2)cc1
InChIInChI=1S/C30H39N3O6S2/c1-20-21(2)23(4)30(24(5)22(20)3)41(36,37)33-17-15-32(16-18-33)28-19-27(13-14-29(28)39-8)40(34,35)31(6)25-9-11-26(38-7)12-10-25/h9-14,19H,15-18H2,1-8H3
InChIKeyISGFUVSRUJJYGP-UHFFFAOYSA-N
XLogP4.58
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.79
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-4-methoxy-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide
CID 46088432
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 46088159
3-[4-(2-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 46088157
4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2-phenoxypropanoyl)piperazin-1-yl]benzenesulfonamide
CID 46088330
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 46088777
N-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 2597934
3,4-dimethoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 126410630
1-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 1288689
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 43876196
1-(5-iodo-2-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 90110466

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide (CID 46088426) is 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)CC3)c2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide?
The InChIKey is ISGFUVSRUJJYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O6S2/c1-20-21(2)23(4)30(24(5)22(20)3)41(36,37)33-17-15-32(16-18-33)28-19-27(13-14-29(28)39-8)40(34,35)31(6)25-9-11-26(38-7)12-10-25/h9-14,19H,15-18H2,1-8H3.
What are the key properties of 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide?
4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide has a molecular weight of 601.79 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxyphenyl)-N-methyl-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 46088426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).