N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide

C22H26N4O2S — CID 140667755

IUPACN-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide
SMILESCCCN[C@H]1CCc2cc(-c3ccn(NS(=O)(=O)c4ccccc4)n3)ccc2C1
InChIInChI=1S/C22H26N4O2S/c1-2-13-23-20-11-10-17-15-19(9-8-18(17)16-20)22-12-14-26(24-22)25-29(27,28)21-6-4-3-5-7-21/h3-9,12,14-15,20,23,25H,2,10-11,13,16H2,1H3/t20-/m0/s1
InChIKeyJXHXBFXSGNABEB-FQEVSTJZSA-N
MW410.54 g/mol
LogP3.34
Rot. Bonds7

About N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide

N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 140667755) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide
PubChem CID140667755
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide
SMILESCCCN[C@H]1CCc2cc(-c3ccn(NS(=O)(=O)c4ccccc4)n3)ccc2C1
InChIInChI=1S/C22H26N4O2S/c1-2-13-23-20-11-10-17-15-19(9-8-18(17)16-20)22-12-14-26(24-22)25-29(27,28)21-6-4-3-5-7-21/h3-9,12,14-15,20,23,25H,2,10-11,13,16H2,1H3/t20-/m0/s1
InChIKeyJXHXBFXSGNABEB-FQEVSTJZSA-N
XLogP3.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide (CID 140667755) is N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide is CCCN[C@H]1CCc2cc(-c3ccn(NS(=O)(=O)c4ccccc4)n3)ccc2C1.
What is the InChIKey of N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is JXHXBFXSGNABEB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-13-23-20-11-10-17-15-19(9-8-18(17)16-20)22-12-14-26(24-22)25-29(27,28)21-6-4-3-5-7-21/h3-9,12,14-15,20,23,25H,2,10-11,13,16H2,1H3/t20-/m0/s1.
What are the key properties of N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide?
N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 140667755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).