N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide

C32H41FN6O3S — CID 162435316

IUPACN-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCCN2CCC(Cn3cc(-c4c(C(=O)C(C)C)[nH]c5ccc(F)cc45)nn3)CC2)cc1
InChIInChI=1S/C32H41FN6O3S/c1-21(2)17-23-5-8-26(9-6-23)43(41,42)34-13-16-38-14-11-24(12-15-38)19-39-20-29(36-37-39)30-27-18-25(33)7-10-28(27)35-31(30)32(40)22(3)4/h5-10,18,20-22,24,34-35H,11-17,19H2,1-4H3
InChIKeyVFEIUXMCWZINTI-UHFFFAOYSA-N
MW608.78 g/mol
LogP5.29
Rot. Bonds12

About N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide

N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 162435316) has the molecular formula C32H41FN6O3S and a molecular weight of 608.78 g/mol. Its IUPAC name is N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID162435316
Molecular FormulaC32H41FN6O3S
Molecular Weight608.78 g/mol
Exact Mass608.29
IUPAC NameN-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCCN2CCC(Cn3cc(-c4c(C(=O)C(C)C)[nH]c5ccc(F)cc45)nn3)CC2)cc1
InChIInChI=1S/C32H41FN6O3S/c1-21(2)17-23-5-8-26(9-6-23)43(41,42)34-13-16-38-14-11-24(12-15-38)19-39-20-29(36-37-39)30-27-18-25(33)7-10-28(27)35-31(30)32(40)22(3)4/h5-10,18,20-22,24,34-35H,11-17,19H2,1-4H3
InChIKeyVFEIUXMCWZINTI-UHFFFAOYSA-N
XLogP5.29
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230278983, Code AB1381
CID 162435223
US20230278983, Code AB668
CID 162435646
(4-fluorophenyl)-[1-[2-[(2R)-1-(1H-indol-6-ylsulfonyl)pyrrolidin-2-yl]ethyl]piperidin-4-yl]methanone
CID 44340850
US20230278983, Code AB1394
CID 162435117
US20230278983, Code AB1231
CID 162435260
US20230278983, Code AB1451
CID 162435292
US20230278983, Code AB1450
CID 162435327
US20230278983, Code AB1401
CID 162435708
US20230278983, Code AB1135
CID 162435735
[(3R)-4-[[4-fluoro-7-(triazol-1-yl)-1H-indol-3-yl]sulfonyl]-3-methyl-piperazin-1-yl]-phenyl-methanone
CID 24749697
[(3R)-4-[[4-fluoro-7-(triazol-2-yl)-1H-indol-3-yl]sulfonyl]-3-methyl-piperazin-1-yl]-phenyl-methanone
CID 24750402
10-[2-(1H-indol-3-yl)ethylamino]-2-(4-methylphenyl)sulfonyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one;2,2,2-trifluoroacetic acid
CID 49797342

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide (CID 162435316) is N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NCCN2CCC(Cn3cc(-c4c(C(=O)C(C)C)[nH]c5ccc(F)cc45)nn3)CC2)cc1.
What is the InChIKey of N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is VFEIUXMCWZINTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN6O3S/c1-21(2)17-23-5-8-26(9-6-23)43(41,42)34-13-16-38-14-11-24(12-15-38)19-39-20-29(36-37-39)30-27-18-25(33)7-10-28(27)35-31(30)32(40)22(3)4/h5-10,18,20-22,24,34-35H,11-17,19H2,1-4H3.
What are the key properties of N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 608.78 g/mol, XLogP of 5.29, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[5-fluoro-2-(2-methylpropanoyl)-1H-indol-3-yl]triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 162435316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).