N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide

C26H27FN4O2S — CID 134096072

IUPACN-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide
SMILESCN1CCN(Cc2cn(-c3ccc(F)cc3)c3ccc(NS(=O)(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/C26H27FN4O2S/c1-29-13-15-30(16-14-29)18-20-19-31(23-10-7-21(27)8-11-23)26-12-9-22(17-25(20)26)28-34(32,33)24-5-3-2-4-6-24/h2-12,17,19,28H,13-16,18H2,1H3
InChIKeyKJAXGNMRYJXKCS-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.32
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide

N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide (PubChem CID 134096072) has the molecular formula C26H27FN4O2S and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide
PubChem CID134096072
Molecular FormulaC26H27FN4O2S
Molecular Weight478.59 g/mol
Exact Mass478.18
IUPAC NameN-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide
SMILESCN1CCN(Cc2cn(-c3ccc(F)cc3)c3ccc(NS(=O)(=O)c4ccccc4)cc23)CC1
InChIInChI=1S/C26H27FN4O2S/c1-29-13-15-30(16-14-29)18-20-19-31(23-10-7-21(27)8-11-23)26-12-9-22(17-25(20)26)28-34(32,33)24-5-3-2-4-6-24/h2-12,17,19,28H,13-16,18H2,1H3
InChIKeyKJAXGNMRYJXKCS-UHFFFAOYSA-N
XLogP4.32
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]propane-1-sulfonamide
CID 134096092
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
CID 4890091
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10023874
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
N-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 118582208
N-[1-(4-fluorophenyl)-3-[[methyl(pentan-2-yl)amino]methyl]indol-5-yl]propane-1-sulfonamide
CID 171985187
N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
CID 11566896
1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole;5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1H-indole
CID 162059237
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 50766373
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide (CID 134096072) is N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide is CN1CCN(Cc2cn(-c3ccc(F)cc3)c3ccc(NS(=O)(=O)c4ccccc4)cc23)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide?
The InChIKey is KJAXGNMRYJXKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2S/c1-29-13-15-30(16-14-29)18-20-19-31(23-10-7-21(27)8-11-23)26-12-9-22(17-25(20)26)28-34(32,33)24-5-3-2-4-6-24/h2-12,17,19,28H,13-16,18H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide?
N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide has a molecular weight of 478.59 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 134096072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).