[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid

C20H23BrN2O4S — CID 142689469

IUPAC[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
SMILESCCCN(C(=O)O)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2C1
InChIInChI=1S/C20H23BrN2O4S/c1-2-11-23(20(24)25)18-8-4-14-12-17(7-3-15(14)13-18)22-28(26,27)19-9-5-16(21)6-10-19/h3,5-7,9-10,12,18,22H,2,4,8,11,13H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyAPMUTBHJEJELOZ-GOSISDBHSA-N
MW467.39 g/mol
LogP4.50
Rot. Bonds6

About [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid

[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid (PubChem CID 142689469) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid.

Molecular Properties

Compound Name[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
PubChem CID142689469
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC Name[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
SMILESCCCN(C(=O)O)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2C1
InChIInChI=1S/C20H23BrN2O4S/c1-2-11-23(20(24)25)18-8-4-14-12-17(7-3-15(14)13-18)22-28(26,27)19-9-5-16(21)6-10-19/h3,5-7,9-10,12,18,22H,2,4,8,11,13H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyAPMUTBHJEJELOZ-GOSISDBHSA-N
XLogP4.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-6-[[4-(2-hydroxypropan-2-yl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68914714
tert-butyl N-[(2R)-6-[[4-(1,1-difluoropropan-2-yl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68916802
tert-butyl N-[6-[[4-(difluoromethoxy)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68916748
tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68918954
tert-butyl N-[6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68918960
tert-butyl N-[6-[[4-(3-fluoropyrrolidin-1-yl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68915131
tert-butyl N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylcarbamate
CID 68911943
4-bromo-N-(3-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 67228370
N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide
CID 19710169
[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111795
4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 11596180
4-bromo-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926647

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The IUPAC name of [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid (CID 142689469) is [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid.
What is the SMILES notation for [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The canonical SMILES for [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid is CCCN(C(=O)O)[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2C1.
What is the InChIKey of [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The InChIKey is APMUTBHJEJELOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-2-11-23(20(24)25)18-8-4-14-12-17(7-3-15(14)13-18)22-28(26,27)19-9-5-16(21)6-10-19/h3,5-7,9-10,12,18,22H,2,4,8,11,13H2,1H3,(H,24,25)/t18-/m1/s1.
What are the key properties of [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid has a molecular weight of 467.39 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid is sourced from PubChem (CID 142689469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).