N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine

C20H22ClN3O2S — CID 69120329

IUPACN-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cccc(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)c2)CC1
InChIInChI=1S/C20H22ClN3O2S/c1-24-9-7-16(8-10-24)22-17-3-2-4-18(13-17)27(25,26)20-12-14-11-15(21)5-6-19(14)23-20/h2-6,11-13,16,22-23H,7-10H2,1H3
InChIKeyCBTYKDJCOPEQQE-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.16
Rot. Bonds4

About N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine

N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine (PubChem CID 69120329) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
PubChem CID69120329
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC NameN-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cccc(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)c2)CC1
InChIInChI=1S/C20H22ClN3O2S/c1-24-9-7-16(8-10-24)22-17-3-2-4-18(13-17)27(25,26)20-12-14-11-15(21)5-6-19(14)23-20/h2-6,11-13,16,22-23H,7-10H2,1H3
InChIKeyCBTYKDJCOPEQQE-UHFFFAOYSA-N
XLogP4.16
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine (CID 69120329) is N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2cccc(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)c2)CC1.
What is the InChIKey of N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine?
The InChIKey is CBTYKDJCOPEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-24-9-7-16(8-10-24)22-17-3-2-4-18(13-17)27(25,26)20-12-14-11-15(21)5-6-19(14)23-20/h2-6,11-13,16,22-23H,7-10H2,1H3.
What are the key properties of N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine?
N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine has a molecular weight of 403.94 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 69120329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).