1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide

C23H26N4O2S — CID 171514607

IUPAC1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)c(-c1cn(C)cn1)cn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H26N4O2S/c1-23(2,3)16-6-8-17(9-7-16)27-13-20(21-14-26(5)15-25-21)19-12-18(10-11-22(19)27)30(28,29)24-4/h6-15,24H,1-5H3
InChIKeySFMGZZQGMRHBIT-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide

1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide (PubChem CID 171514607) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide
PubChem CID171514607
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)c(-c1cn(C)cn1)cn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H26N4O2S/c1-23(2,3)16-6-8-17(9-7-16)27-13-20(21-14-26(5)15-25-21)19-12-18(10-11-22(19)27)30(28,29)24-4/h6-15,24H,1-5H3
InChIKeySFMGZZQGMRHBIT-UHFFFAOYSA-N
XLogP4.24
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(1-propan-2-ylimidazol-4-yl)-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514560
3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514609
3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514593
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
N-methyl-3-(1-methylimidazol-4-yl)-4-[(4-methylphenyl)methyl]benzenesulfonamide
CID 163534192
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881
4-[[5-[cyclopropyloxy(difluoro)methyl]-2-pyridinyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 166161977
N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethoxy)phenyl]methylamino]benzenesulfonamide
CID 155342859
N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide
CID 155342787
4-[[(1E,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 155366734
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-(trifluoromethylsulfanyl)phenyl]methyl]benzenesulfonamide
CID 158234105
4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole
CID 82081404

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide (CID 171514607) is 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)c(-c1cn(C)cn1)cn2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide?
The InChIKey is SFMGZZQGMRHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-23(2,3)16-6-8-17(9-7-16)27-13-20(21-14-26(5)15-25-21)19-12-18(10-11-22(19)27)30(28,29)24-4/h6-15,24H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide?
1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide has a molecular weight of 422.55 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide is sourced from PubChem (CID 171514607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).