4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide

C22H30N2O2S — CID 11596180

IUPAC4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
SMILESCCCN[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2C1
InChIInChI=1S/C22H30N2O2S/c1-4-13-23-20-9-5-19-15-21(10-6-18(19)14-20)24-27(25,26)22-11-7-17(8-12-22)16(2)3/h6-8,10-12,15-16,20,23-24H,4-5,9,13-14H2,1-3H3/t20-/m1/s1
InChIKeyDFTFKYYTOKBFMM-HXUWFJFHSA-N
MW386.56 g/mol
LogP4.47
Rot. Bonds7

About 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide

4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide (PubChem CID 11596180) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
PubChem CID11596180
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
SMILESCCCN[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2C1
InChIInChI=1S/C22H30N2O2S/c1-4-13-23-20-9-5-19-15-21(10-6-18(19)14-20)24-27(25,26)22-11-7-17(8-12-22)16(2)3/h6-8,10-12,15-16,20,23-24H,4-5,9,13-14H2,1-3H3/t20-/m1/s1
InChIKeyDFTFKYYTOKBFMM-HXUWFJFHSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68913990
4-[(2S)-1-fluoropropan-2-yl]-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68912520
N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 131732535
4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68916780
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 68914747
4-propan-2-yl-N-(1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl)benzenesulfonamide
CID 68912534
(1S)-6-fluoro-6-propan-2-yl-N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclohexa-2,4-diene-1-sulfonamide;hydrochloride
CID 158895824
4-propan-2-yl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926681
[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111795
tert-butyl N-[(2R)-6-[[4-(1,1-difluoropropan-2-yl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68916802
N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide
CID 140667755

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide (CID 11596180) is 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide is CCCN[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2C1.
What is the InChIKey of 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The InChIKey is DFTFKYYTOKBFMM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-4-13-23-20-9-5-19-15-21(10-6-18(19)14-20)24-27(25,26)22-11-7-17(8-12-22)16(2)3/h6-8,10-12,15-16,20,23-24H,4-5,9,13-14H2,1-3H3/t20-/m1/s1.
What are the key properties of 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?
4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide is sourced from PubChem (CID 11596180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).