N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine

C24H28FN3O2S — CID 25222495

IUPACN-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine
SMILESCN1CCC(N(CC2CC2)c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O2S/c1-26-14-11-20(12-15-26)27(17-18-5-6-18)23-3-2-4-24-22(23)13-16-28(24)31(29,30)21-9-7-19(25)8-10-21/h2-4,7-10,13,16,18,20H,5-6,11-12,14-15,17H2,1H3
InChIKeyFRKFAEGAWYLZGC-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.33
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine

N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine (PubChem CID 25222495) has the molecular formula C24H28FN3O2S and a molecular weight of 441.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine
PubChem CID25222495
Molecular FormulaC24H28FN3O2S
Molecular Weight441.57 g/mol
Exact Mass441.19
IUPAC NameN-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine
SMILESCN1CCC(N(CC2CC2)c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O2S/c1-26-14-11-20(12-15-26)27(17-18-5-6-18)23-3-2-4-24-22(23)13-16-28(24)31(29,30)21-9-7-19(25)8-10-21/h2-4,7-10,13,16,18,20H,5-6,11-12,14-15,17H2,1H3
InChIKeyFRKFAEGAWYLZGC-UHFFFAOYSA-N
XLogP4.33
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine (CID 25222495) is N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine is CN1CCC(N(CC2CC2)c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine?
The InChIKey is FRKFAEGAWYLZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2S/c1-26-14-11-20(12-15-26)27(17-18-5-6-18)23-3-2-4-24-22(23)13-16-28(24)31(29,30)21-9-7-19(25)8-10-21/h2-4,7-10,13,16,18,20H,5-6,11-12,14-15,17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine?
N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine has a molecular weight of 441.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)indol-4-amine is sourced from PubChem (CID 25222495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).