N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

C23H27FN2O3S — CID 100790983

IUPACN-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O3S/c1-17-15-18-7-5-6-10-22(18)26(17)23(27)16-25(20-8-3-2-4-9-20)30(28,29)21-13-11-19(24)12-14-21/h5-7,10-14,17,20H,2-4,8-9,15-16H2,1H3/t17-/m0/s1
InChIKeyOPCBKDZAORSEIW-KRWDZBQOSA-N
MW430.55 g/mol
LogP4.13
Rot. Bonds5

About N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 100790983) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID100790983
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O3S/c1-17-15-18-7-5-6-10-22(18)26(17)23(27)16-25(20-8-3-2-4-9-20)30(28,29)21-13-11-19(24)12-14-21/h5-7,10-14,17,20H,2-4,8-9,15-16H2,1H3/t17-/m0/s1
InChIKeyOPCBKDZAORSEIW-KRWDZBQOSA-N
XLogP4.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125048768
N-cyclohexyl-3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179753
3-chloro-N-cyclohexyl-4-methoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133178440
4-bromo-N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide
CID 100790806
N-[(4-fluorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793142
4-fluoro-N-(3-methoxypropyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2125542
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
methyl (2S)-4-[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 100791016
N-cycloheptyl-4-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788666
4-chloro-N-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179817
4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 125063411
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 100790983) is N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is C[C@H]1Cc2ccccc2N1C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is OPCBKDZAORSEIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-17-15-18-7-5-6-10-22(18)26(17)23(27)16-25(20-8-3-2-4-9-20)30(28,29)21-13-11-19(24)12-14-21/h5-7,10-14,17,20H,2-4,8-9,15-16H2,1H3/t17-/m0/s1.
What are the key properties of N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 100790983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).