4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide

C22H18N4O3S — CID 45258128

IUPAC4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nc3c4ccccc4[nH]c3n2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H18N4O3S/c1-29-16-10-6-14(7-11-16)21-25-20-18-4-2-3-5-19(18)24-22(20)26(21)15-8-12-17(13-9-15)30(23,27)28/h2-13,24H,1H3,(H2,23,27,28)
InChIKeyNTEQRILLYUUTMQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.83
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide

4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide (PubChem CID 45258128) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide
PubChem CID45258128
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nc3c4ccccc4[nH]c3n2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H18N4O3S/c1-29-16-10-6-14(7-11-16)21-25-20-18-4-2-3-5-19(18)24-22(20)26(21)15-8-12-17(13-9-15)30(23,27)28/h2-13,24H,1H3,(H2,23,27,28)
InChIKeyNTEQRILLYUUTMQ-UHFFFAOYSA-N
XLogP3.83
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol
CID 45258430
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 70694151
N-[(1S)-1-[4-(4-methoxyphenyl)-5-[(4-sulfamoylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 156789173
2-(4-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135405767
4-[5-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10251963
ethyl 3-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 86224566
4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723308
4-[2-(4-methoxyphenyl)-5H-imidazo[2,1-f][1,2,4]triazin-3-yl]benzenesulfonamide
CID 70025323

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide (CID 45258128) is 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide is COc1ccc(-c2nc3c4ccccc4[nH]c3n2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide?
The InChIKey is NTEQRILLYUUTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-29-16-10-6-14(7-11-16)21-25-20-18-4-2-3-5-19(18)24-22(20)26(21)15-8-12-17(13-9-15)30(23,27)28/h2-13,24H,1H3,(H2,23,27,28).
What are the key properties of 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide?
4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide has a molecular weight of 418.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide is sourced from PubChem (CID 45258128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).